14-oxo-10-(2-pyridin-2-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),15-heptaene-15-carboxamide

C29H29N5O3 — CID 59751709

IUPAC14-oxo-10-(2-pyridin-2-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),15-heptaene-15-carboxamide
SMILESO=C(NCCN1CCCC1)c1cn2c3c(c(NCCc4ccccn4)ccc3c1=O)Oc1ccccc1-2
InChIInChI=1S/C29H29N5O3/c35-27-21-10-11-23(31-14-12-20-7-3-4-13-30-20)28-26(21)34(24-8-1-2-9-25(24)37-28)19-22(27)29(36)32-15-18-33-16-5-6-17-33/h1-4,7-11,13,19,31H,5-6,12,14-18H2,(H,32,36)
InChIKeyJZUVFQWESPOLJS-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.97
Rot. Bonds8

About 14-oxo-10-(2-pyridin-2-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),15-heptaene-15-carboxamide

14-oxo-10-(2-pyridin-2-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),15-heptaene-15-carboxamide (PubChem CID 59751709) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is 14-oxo-10-(2-pyridin-2-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),15-heptaene-15-carboxamide.

Molecular Properties

Compound Name14-oxo-10-(2-pyridin-2-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),15-heptaene-15-carboxamide
PubChem CID59751709
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC Name14-oxo-10-(2-pyridin-2-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),15-heptaene-15-carboxamide
SMILESO=C(NCCN1CCCC1)c1cn2c3c(c(NCCc4ccccn4)ccc3c1=O)Oc1ccccc1-2
InChIInChI=1S/C29H29N5O3/c35-27-21-10-11-23(31-14-12-20-7-3-4-13-30-20)28-26(21)34(24-8-1-2-9-25(24)37-28)19-22(27)29(36)32-15-18-33-16-5-6-17-33/h1-4,7-11,13,19,31H,5-6,12,14-18H2,(H,32,36)
InChIKeyJZUVFQWESPOLJS-UHFFFAOYSA-N
XLogP3.97
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 14-oxo-10-(2-pyridin-2-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),15-heptaene-15-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

14-oxo-10-(4-pyridin-2-ylpiperazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),15-heptaene-15-carboxamide
CID 59751846
14-[3-(4-methylpiperazin-1-yl)propylamino]-18-oxo-N-(2-pyrrolidin-1-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide
CID 58744429
11-fluoro-N-(2-morpholin-4-ylethyl)-10-(2-morpholin-4-ylethylamino)-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide
CID 58744844
14-[3-(4-methylpiperazin-1-yl)propylamino]-N-(3-morpholin-4-ylpropyl)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide
CID 58744832
ethane;11-fluoro-N-(2-morpholin-4-ylethyl)-14-oxo-10-(4-propan-2-ylpiperazin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide
CID 142953748
11-fluoro-15-(4-methylpiperazine-1-carbonyl)-10-(2-pyrrolidin-1-ylethylamino)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one
CID 58744673
4-chloro-10,11-difluoro-14-oxo-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide;ethyl 4-chloro-10,11-difluoro-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylate
CID 162178057
5-chloro-11-fluoro-14-oxo-10-(4-propan-2-ylpiperazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide
CID 59751836
11-fluoro-10-(3-imidazol-1-ylpropylamino)-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide
CID 58816108
N-(3-methylheptyl)-18-oxo-14-(propylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide
CID 143457751
5-chloro-11-fluoro-10-[4-(2-methylpropanoyl)piperazin-1-yl]-14-oxo-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide
CID 59751807
11-fluoro-10-(3-imidazol-1-ylpropylamino)-5-methoxy-14-oxo-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide
CID 58743963

Frequently Asked Questions

What is the IUPAC name of 14-oxo-10-(2-pyridin-2-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),15-heptaene-15-carboxamide?
The IUPAC name of 14-oxo-10-(2-pyridin-2-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),15-heptaene-15-carboxamide (CID 59751709) is 14-oxo-10-(2-pyridin-2-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),15-heptaene-15-carboxamide.
What is the SMILES notation for 14-oxo-10-(2-pyridin-2-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),15-heptaene-15-carboxamide?
The canonical SMILES for 14-oxo-10-(2-pyridin-2-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),15-heptaene-15-carboxamide is O=C(NCCN1CCCC1)c1cn2c3c(c(NCCc4ccccn4)ccc3c1=O)Oc1ccccc1-2.
What is the InChIKey of 14-oxo-10-(2-pyridin-2-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),15-heptaene-15-carboxamide?
The InChIKey is JZUVFQWESPOLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c35-27-21-10-11-23(31-14-12-20-7-3-4-13-30-20)28-26(21)34(24-8-1-2-9-25(24)37-28)19-22(27)29(36)32-15-18-33-16-5-6-17-33/h1-4,7-11,13,19,31H,5-6,12,14-18H2,(H,32,36).
What are the key properties of 14-oxo-10-(2-pyridin-2-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),15-heptaene-15-carboxamide?
14-oxo-10-(2-pyridin-2-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),15-heptaene-15-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxo-10-(2-pyridin-2-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),15-heptaene-15-carboxamide is sourced from PubChem (CID 59751709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).