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

C27H37N5O2 — CID 70411121

IUPACN-[3-[2-(diethylaminomethyl)piperidin-1-yl]propyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide
SMILESCCN(CC)CC1CCCCN1CCCNC(=O)N1c2ccccc2C(=O)Cc2cccnc21
InChIInChI=1S/C27H37N5O2/c1-3-30(4-2)20-22-12-7-8-17-31(22)18-10-16-29-27(34)32-24-14-6-5-13-23(24)25(33)19-21-11-9-15-28-26(21)32/h5-6,9,11,13-15,22H,3-4,7-8,10,12,16-20H2,1-2H3,(H,29,34)
InChIKeyAVIBIDNNSYGSCI-UHFFFAOYSA-N
MW463.63 g/mol
LogP4.25
Rot. Bonds8

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

N-[3-[2-(diethylaminomethyl)piperidin-1-yl]propyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide (PubChem CID 70411121) has the molecular formula C27H37N5O2 and a molecular weight of 463.63 g/mol. Its IUPAC name is N-[3-[2-(diethylaminomethyl)piperidin-1-yl]propyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(diethylaminomethyl)piperidin-1-yl]propyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide
PubChem CID70411121
Molecular FormulaC27H37N5O2
Molecular Weight463.63 g/mol
Exact Mass463.29
IUPAC NameN-[3-[2-(diethylaminomethyl)piperidin-1-yl]propyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide
SMILESCCN(CC)CC1CCCCN1CCCNC(=O)N1c2ccccc2C(=O)Cc2cccnc21
InChIInChI=1S/C27H37N5O2/c1-3-30(4-2)20-22-12-7-8-17-31(22)18-10-16-29-27(34)32-24-14-6-5-13-23(24)25(33)19-21-11-9-15-28-26(21)32/h5-6,9,11,13-15,22H,3-4,7-8,10,12,16-20H2,1-2H3,(H,29,34)
InChIKeyAVIBIDNNSYGSCI-UHFFFAOYSA-N
XLogP4.25
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide
CID 70411572
N-[2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide
CID 70411317
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]-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-[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
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-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 100629368
11-[2-[2-[4-(diethylamino)butyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 14374298
10-bromo-11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 22156753
N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethylpiperidine-1-carboxamide
CID 108889482

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(diethylaminomethyl)piperidin-1-yl]propyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide?
The IUPAC name of N-[3-[2-(diethylaminomethyl)piperidin-1-yl]propyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide (CID 70411121) is N-[3-[2-(diethylaminomethyl)piperidin-1-yl]propyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide.
What is the SMILES notation for N-[3-[2-(diethylaminomethyl)piperidin-1-yl]propyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide?
The canonical SMILES for N-[3-[2-(diethylaminomethyl)piperidin-1-yl]propyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide is CCN(CC)CC1CCCCN1CCCNC(=O)N1c2ccccc2C(=O)Cc2cccnc21.
What is the InChIKey of N-[3-[2-(diethylaminomethyl)piperidin-1-yl]propyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide?
The InChIKey is AVIBIDNNSYGSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O2/c1-3-30(4-2)20-22-12-7-8-17-31(22)18-10-16-29-27(34)32-24-14-6-5-13-23(24)25(33)19-21-11-9-15-28-26(21)32/h5-6,9,11,13-15,22H,3-4,7-8,10,12,16-20H2,1-2H3,(H,29,34).
What are the key properties of N-[3-[2-(diethylaminomethyl)piperidin-1-yl]propyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide?
N-[3-[2-(diethylaminomethyl)piperidin-1-yl]propyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide has a molecular weight of 463.63 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(diethylaminomethyl)piperidin-1-yl]propyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 70411121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).