N-[2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide

C25H33N5O2 — CID 70411317

IUPACN-[2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide
SMILESCCN(CC)CC1CCN(CCNC(=O)N2c3ccccc3C(=O)Cc3cccnc32)C1
InChIInChI=1S/C25H33N5O2/c1-3-28(4-2)17-19-11-14-29(18-19)15-13-27-25(32)30-22-10-6-5-9-21(22)23(31)16-20-8-7-12-26-24(20)30/h5-10,12,19H,3-4,11,13-18H2,1-2H3,(H,27,32)
InChIKeyNQRDERUKVDJVTC-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.33
Rot. Bonds7

About N-[2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide

N-[2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide (PubChem CID 70411317) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide
PubChem CID70411317
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC NameN-[2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide
SMILESCCN(CC)CC1CCN(CCNC(=O)N2c3ccccc3C(=O)Cc3cccnc32)C1
InChIInChI=1S/C25H33N5O2/c1-3-28(4-2)17-19-11-14-29(18-19)15-13-27-25(32)30-22-10-6-5-9-21(22)23(31)16-20-8-7-12-26-24(20)30/h5-10,12,19H,3-4,11,13-18H2,1-2H3,(H,27,32)
InChIKeyNQRDERUKVDJVTC-UHFFFAOYSA-N
XLogP3.33
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(diethylaminomethyl)piperidin-1-yl]propyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide
CID 70411121
N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide
CID 70411572
N-[2-[4-[3-(diethylamino)propyl]piperidin-1-yl]ethyl]-9-methyl-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
CID 14210072
N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-8-fluoro-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
CID 19846022
N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-7-fluoro-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
CID 67935578
2-chloro-N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
CID 19845983
N-[3-[2-[(dimethylamino)methyl]piperidin-1-yl]propyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
CID 14210031
N-[2-(2-methylpiperidin-1-yl)ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide;N-propylpropan-1-amine
CID 68865614
2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554129
N-[2-[4-[3-[di(propan-2-yl)amino]propyl]piperidin-1-yl]ethyl]-9-methyl-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
CID 19846013
11-[4-[3-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]butanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 15925629
N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-4,6-dimethyl-8-oxo-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-2-carboxamide
CID 19846045

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide?
The IUPAC name of N-[2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide (CID 70411317) is N-[2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide.
What is the SMILES notation for N-[2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide?
The canonical SMILES for N-[2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide is CCN(CC)CC1CCN(CCNC(=O)N2c3ccccc3C(=O)Cc3cccnc32)C1.
What is the InChIKey of N-[2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide?
The InChIKey is NQRDERUKVDJVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-3-28(4-2)17-19-11-14-29(18-19)15-13-27-25(32)30-22-10-6-5-9-21(22)23(31)16-20-8-7-12-26-24(20)30/h5-10,12,19H,3-4,11,13-18H2,1-2H3,(H,27,32).
What are the key properties of N-[2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide?
N-[2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 70411317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).