N-[17-(cyclopropylmethyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C28H34N4O4 — CID 134189186

IUPACN-[17-(cyclopropylmethyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCN(C(=O)c1c[nH]c(=O)[nH]c1=O)C1CCC23CCC1C21CCN(CC2CC2)C3Cc2ccc(O)cc21
InChIInChI=1S/C28H34N4O4/c1-31(25(35)19-14-29-26(36)30-24(19)34)22-7-9-27-8-6-20(22)28(27)10-11-32(15-16-2-3-16)23(27)12-17-4-5-18(33)13-21(17)28/h4-5,13-14,16,20,22-23,33H,2-3,6-12,15H2,1H3,(H2,29,30,34,36)
InChIKeyZVTPWMHJOGZAFK-UHFFFAOYSA-N
MW490.60 g/mol
LogP2.38
Rot. Bonds4

About N-[17-(cyclopropylmethyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[17-(cyclopropylmethyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 134189186) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-[17-(cyclopropylmethyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[17-(cyclopropylmethyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID134189186
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC NameN-[17-(cyclopropylmethyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCN(C(=O)c1c[nH]c(=O)[nH]c1=O)C1CCC23CCC1C21CCN(CC2CC2)C3Cc2ccc(O)cc21
InChIInChI=1S/C28H34N4O4/c1-31(25(35)19-14-29-26(36)30-24(19)34)22-7-9-27-8-6-20(22)28(27)10-11-32(15-16-2-3-16)23(27)12-17-4-5-18(33)13-21(17)28/h4-5,13-14,16,20,22-23,33H,2-3,6-12,15H2,1H3,(H2,29,30,34,36)
InChIKeyZVTPWMHJOGZAFK-UHFFFAOYSA-N
XLogP2.38
TPSA109.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[17-(cyclopropylmethyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

17-(cyclopropylmethyl)-13-(dimethylamino)-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-4-ol
CID 134189176
N-[17-(cyclopropylmethyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-1-ethyl-N-methyl-6-oxopyridine-2-carboxamide
CID 134414927
N-[3-(cyclopropylmethyl)-6-(2-ethyl-5-hydroxyphenyl)-2-methyl-3-azatricyclo[5.3.2.01,6]dodecan-8-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 139332621
N-[3-(cyclopropylmethyl)-6-(2-ethyl-5-hydroxyphenyl)-2-methyl-3-azatricyclo[5.3.2.01,6]dodecan-8-yl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
CID 166814278
N-[(18S)-17-(cyclopropylmethyl)-4-hydroxy-18-methyl-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-1-hydroxy-N-methylpyridin-1-ium-3-carboxamide
CID 170255034
N-[18-(cyclopropylmethyl)-4-hydroxy-12-methyl-18-azahexacyclo[7.6.3.110,13.01,10.02,7.012,15]nonadeca-2(7),3,5-trien-14-yl]-N,1-dimethyl-6-oxopyridine-2-carboxamide
CID 147068674
5-[(3S)-20-(cyclopropylmethyl)-15-hydroxy-5,20-diazahexacyclo[8.7.3.13,9.01,9.02,6.012,17]henicosa-12(17),13,15-triene-5-carbonyl]-1H-pyrazin-2-one
CID 122550923
N-[17-(3-aminopropyl)-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2,4,6-trien-13-yl]-N-methylbenzamide
CID 135244222
(10S,11R)-6-benzoyl-21-(cyclopropylmethyl)-10,16-dihydroxy-4,21-diazapentacyclo[9.7.3.01,10.03,8.013,18]henicosa-3(8),6,13(18),14,16-pentaen-5-one
CID 90255496
(3S)-20-(cyclopropylmethyl)-5-methyl-5,20-diazahexacyclo[8.7.3.13,9.01,9.02,6.012,17]henicosa-12(17),13,15-trien-15-ol
CID 167076304
1-[(3S)-20-(cyclopropylmethyl)-15-hydroxy-5,20-diazahexacyclo[8.7.3.13,9.01,9.02,6.012,17]henicosa-12(17),13,15-trien-5-yl]-2-hydroxyethanone
CID 89435315
21-(cyclopropylmethyl)-16-hydroxy-5-oxo-4,21-diazapentacyclo[9.7.3.01,10.03,8.013,18]henicosa-3(8),6,13(18),14,16-pentaene-6-carboxylic acid
CID 139271649

Frequently Asked Questions

What is the IUPAC name of N-[17-(cyclopropylmethyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[17-(cyclopropylmethyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 134189186) is N-[17-(cyclopropylmethyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[17-(cyclopropylmethyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[17-(cyclopropylmethyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is CN(C(=O)c1c[nH]c(=O)[nH]c1=O)C1CCC23CCC1C21CCN(CC2CC2)C3Cc2ccc(O)cc21.
What is the InChIKey of N-[17-(cyclopropylmethyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ZVTPWMHJOGZAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-31(25(35)19-14-29-26(36)30-24(19)34)22-7-9-27-8-6-20(22)28(27)10-11-32(15-16-2-3-16)23(27)12-17-4-5-18(33)13-21(17)28/h4-5,13-14,16,20,22-23,33H,2-3,6-12,15H2,1H3,(H2,29,30,34,36).
What are the key properties of N-[17-(cyclopropylmethyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[17-(cyclopropylmethyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 490.60 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[17-(cyclopropylmethyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 134189186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).