N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide

C21H28N4O — CID 133342674

IUPACN-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide
SMILESCCCN1CCCN(c2ccnc(C(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C21H28N4O/c1-2-11-24-12-6-13-25(15-14-24)19-9-10-22-20(16-19)21(26)23-17-18-7-4-3-5-8-18/h3-5,7-10,16H,2,6,11-15,17H2,1H3,(H,23,26)
InChIKeyJAHQJCRHSFMASC-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.93
Rot. Bonds6

About N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide

N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide (PubChem CID 133342674) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide
PubChem CID133342674
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide
SMILESCCCN1CCCN(c2ccnc(C(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C21H28N4O/c1-2-11-24-12-6-13-25(15-14-24)19-9-10-22-20(16-19)21(26)23-17-18-7-4-3-5-8-18/h3-5,7-10,16H,2,6,11-15,17H2,1H3,(H,23,26)
InChIKeyJAHQJCRHSFMASC-UHFFFAOYSA-N
XLogP2.93
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654
N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394
N-benzyl-4-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 166208623
4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212679
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208236
N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide
CID 133417321
4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide
CID 133355871
4-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109208557
N-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide
CID 97316438
N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204611
N-[(3-methylphenyl)methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109210191
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109204576

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide (CID 133342674) is N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide is CCCN1CCCN(c2ccnc(C(=O)NCc3ccccc3)c2)CC1.
What is the InChIKey of N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide?
The InChIKey is JAHQJCRHSFMASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-2-11-24-12-6-13-25(15-14-24)19-9-10-22-20(16-19)21(26)23-17-18-7-4-3-5-8-18/h3-5,7-10,16H,2,6,11-15,17H2,1H3,(H,23,26).
What are the key properties of N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide?
N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 133342674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).