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

C28H39N5O2 — CID 70411572

IUPACN-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide
SMILESCCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Cc2cccnc21
InChIInChI=1S/C28H39N5O2/c1-3-16-31(17-4-2)21-23-11-7-8-18-32(23)19-15-30-28(35)33-25-13-6-5-12-24(25)26(34)20-22-10-9-14-29-27(22)33/h5-6,9-10,12-14,23H,3-4,7-8,11,15-21H2,1-2H3,(H,30,35)
InChIKeyXWABHCWWWLTROA-UHFFFAOYSA-N
MW477.65 g/mol
LogP4.64
Rot. Bonds9

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

N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide (PubChem CID 70411572) has the molecular formula C28H39N5O2 and a molecular weight of 477.65 g/mol. Its IUPAC name is N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide
PubChem CID70411572
Molecular FormulaC28H39N5O2
Molecular Weight477.65 g/mol
Exact Mass477.31
IUPAC NameN-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide
SMILESCCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Cc2cccnc21
InChIInChI=1S/C28H39N5O2/c1-3-16-31(17-4-2)21-23-11-7-8-18-32(23)19-15-30-28(35)33-25-13-6-5-12-24(25)26(34)20-22-10-9-14-29-27(22)33/h5-6,9-10,12-14,23H,3-4,7-8,11,15-21H2,1-2H3,(H,30,35)
InChIKeyXWABHCWWWLTROA-UHFFFAOYSA-N
XLogP4.64
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 54.64
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-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide
CID 70411317
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-[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-(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-[2-(2-methylpiperidin-1-yl)ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide;N-propylpropan-1-amine
CID 68865614
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
11-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;dihydrochloride
CID 19827746
11-[2-[2-[4-(diethylamino)butyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 14374298
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 51631550
11-[2-[2-[(butan-2-ylamino)methyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 70475556

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide?
The IUPAC name of N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide (CID 70411572) is N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide.
What is the SMILES notation for N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide?
The canonical SMILES for N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide is CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Cc2cccnc21.
What is the InChIKey of N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide?
The InChIKey is XWABHCWWWLTROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O2/c1-3-16-31(17-4-2)21-23-11-7-8-18-32(23)19-15-30-28(35)33-25-13-6-5-12-24(25)26(34)20-22-10-9-14-29-27(22)33/h5-6,9-10,12-14,23H,3-4,7-8,11,15-21H2,1-2H3,(H,30,35).
What are the key properties of N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide?
N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide has a molecular weight of 477.65 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 70411572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).