N-methyl-5-(1,2,3,7-tetrahydro-1,4-diazepin-4-yl)pyridine-2-carboxamide

C12H16N4O — CID 176964530

IUPACN-methyl-5-(1,2,3,7-tetrahydro-1,4-diazepin-4-yl)pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2C=CCNCC2)cn1
InChIInChI=1S/C12H16N4O/c1-13-12(17)11-4-3-10(9-15-11)16-7-2-5-14-6-8-16/h2-4,7,9,14H,5-6,8H2,1H3,(H,13,17)
InChIKeyAZQJDKOOJAZMHE-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.36
Rot. Bonds2

About N-methyl-5-(1,2,3,7-tetrahydro-1,4-diazepin-4-yl)pyridine-2-carboxamide

N-methyl-5-(1,2,3,7-tetrahydro-1,4-diazepin-4-yl)pyridine-2-carboxamide (PubChem CID 176964530) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-methyl-5-(1,2,3,7-tetrahydro-1,4-diazepin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(1,2,3,7-tetrahydro-1,4-diazepin-4-yl)pyridine-2-carboxamide
PubChem CID176964530
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-methyl-5-(1,2,3,7-tetrahydro-1,4-diazepin-4-yl)pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2C=CCNCC2)cn1
InChIInChI=1S/C12H16N4O/c1-13-12(17)11-4-3-10(9-15-11)16-7-2-5-14-6-8-16/h2-4,7,9,14H,5-6,8H2,1H3,(H,13,17)
InChIKeyAZQJDKOOJAZMHE-UHFFFAOYSA-N
XLogP0.36
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide
CID 166021939
N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide;hydrochloride
CID 170561549
5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179178
N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 155586911
N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride
CID 120996292
5-(azetidin-3-yl)-N-methylpyridine-2-carboxamide
CID 171487958
5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748280
1-(5-piperazin-1-yl-2-pyridinyl)ethanone
CID 79020099
N-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine
CID 169189713
N-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide
CID 169148857
N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide
CID 166082465
N-[(2R)-1-hydroxypropan-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide
CID 166082435

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(1,2,3,7-tetrahydro-1,4-diazepin-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-(1,2,3,7-tetrahydro-1,4-diazepin-4-yl)pyridine-2-carboxamide (CID 176964530) is N-methyl-5-(1,2,3,7-tetrahydro-1,4-diazepin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-(1,2,3,7-tetrahydro-1,4-diazepin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-(1,2,3,7-tetrahydro-1,4-diazepin-4-yl)pyridine-2-carboxamide is CNC(=O)c1ccc(N2C=CCNCC2)cn1.
What is the InChIKey of N-methyl-5-(1,2,3,7-tetrahydro-1,4-diazepin-4-yl)pyridine-2-carboxamide?
The InChIKey is AZQJDKOOJAZMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-13-12(17)11-4-3-10(9-15-11)16-7-2-5-14-6-8-16/h2-4,7,9,14H,5-6,8H2,1H3,(H,13,17).
What are the key properties of N-methyl-5-(1,2,3,7-tetrahydro-1,4-diazepin-4-yl)pyridine-2-carboxamide?
N-methyl-5-(1,2,3,7-tetrahydro-1,4-diazepin-4-yl)pyridine-2-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(1,2,3,7-tetrahydro-1,4-diazepin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 176964530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).