1-methyl-2-oxo-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,5-dihydro-1,4-benzodiazepine-4-carboxamide

C22H27N5O2 — CID 146136552

IUPAC1-methyl-2-oxo-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,5-dihydro-1,4-benzodiazepine-4-carboxamide
SMILESCN1C(=O)CN(C(=O)NC2CCN(Cc3ccncc3)CC2)Cc2ccccc21
InChIInChI=1S/C22H27N5O2/c1-25-20-5-3-2-4-18(20)15-27(16-21(25)28)22(29)24-19-8-12-26(13-9-19)14-17-6-10-23-11-7-17/h2-7,10-11,19H,8-9,12-16H2,1H3,(H,24,29)
InChIKeyKQKSEOVZYGEVNM-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.23
Rot. Bonds3

About 1-methyl-2-oxo-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,5-dihydro-1,4-benzodiazepine-4-carboxamide

1-methyl-2-oxo-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,5-dihydro-1,4-benzodiazepine-4-carboxamide (PubChem CID 146136552) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,5-dihydro-1,4-benzodiazepine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,5-dihydro-1,4-benzodiazepine-4-carboxamide
PubChem CID146136552
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name1-methyl-2-oxo-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,5-dihydro-1,4-benzodiazepine-4-carboxamide
SMILESCN1C(=O)CN(C(=O)NC2CCN(Cc3ccncc3)CC2)Cc2ccccc21
InChIInChI=1S/C22H27N5O2/c1-25-20-5-3-2-4-18(20)15-27(16-21(25)28)22(29)24-19-8-12-26(13-9-19)14-17-6-10-23-11-7-17/h2-7,10-11,19H,8-9,12-16H2,1H3,(H,24,29)
InChIKeyKQKSEOVZYGEVNM-UHFFFAOYSA-N
XLogP2.23
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide
CID 48957087
2-(2-hydroxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 134813153
(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 94493957
3-benzyl-N-cyclobutyl-1,2,4,4a,5,7-hexahydropyrazino[1,2-a][1,4]benzodiazepine-6-carboxamide
CID 54671152
1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide
CID 138041926
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72879272
2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride
CID 119848192
2-methoxy-2-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 136524347
4-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 120564614
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119848202
1-(3-phenylpropyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47065812

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,5-dihydro-1,4-benzodiazepine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,5-dihydro-1,4-benzodiazepine-4-carboxamide (CID 146136552) is 1-methyl-2-oxo-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,5-dihydro-1,4-benzodiazepine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,5-dihydro-1,4-benzodiazepine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,5-dihydro-1,4-benzodiazepine-4-carboxamide is CN1C(=O)CN(C(=O)NC2CCN(Cc3ccncc3)CC2)Cc2ccccc21.
What is the InChIKey of 1-methyl-2-oxo-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,5-dihydro-1,4-benzodiazepine-4-carboxamide?
The InChIKey is KQKSEOVZYGEVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-25-20-5-3-2-4-18(20)15-27(16-21(25)28)22(29)24-19-8-12-26(13-9-19)14-17-6-10-23-11-7-17/h2-7,10-11,19H,8-9,12-16H2,1H3,(H,24,29).
What are the key properties of 1-methyl-2-oxo-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,5-dihydro-1,4-benzodiazepine-4-carboxamide?
1-methyl-2-oxo-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,5-dihydro-1,4-benzodiazepine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,5-dihydro-1,4-benzodiazepine-4-carboxamide is sourced from PubChem (CID 146136552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).