1-(3-amino-4-cyano-2-pyridinyl)-N-methylpiperidine-2-carboxamide

C13H17N5O — CID 82817618

IUPAC1-(3-amino-4-cyano-2-pyridinyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1nccc(C#N)c1N
InChIInChI=1S/C13H17N5O/c1-16-13(19)10-4-2-3-7-18(10)12-11(15)9(8-14)5-6-17-12/h5-6,10H,2-4,7,15H2,1H3,(H,16,19)
InChIKeyUWYPAWHVWYDASN-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.64
Rot. Bonds2

About 1-(3-amino-4-cyano-2-pyridinyl)-N-methylpiperidine-2-carboxamide

1-(3-amino-4-cyano-2-pyridinyl)-N-methylpiperidine-2-carboxamide (PubChem CID 82817618) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(3-amino-4-cyano-2-pyridinyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-amino-4-cyano-2-pyridinyl)-N-methylpiperidine-2-carboxamide
PubChem CID82817618
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-(3-amino-4-cyano-2-pyridinyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1nccc(C#N)c1N
InChIInChI=1S/C13H17N5O/c1-16-13(19)10-4-2-3-7-18(10)12-11(15)9(8-14)5-6-17-12/h5-6,10H,2-4,7,15H2,1H3,(H,16,19)
InChIKeyUWYPAWHVWYDASN-UHFFFAOYSA-N
XLogP0.64
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 107057278
1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide
CID 80510373
1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 54985330
3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 82817295
1-(4-amino-3-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 115499282
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopyridine-4-carbonitrile
CID 82813269
1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 63094081
1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide
CID 78965989
1-(5-aminopyrazin-2-yl)-N-methylpiperidine-2-carboxamide
CID 80653622
1-[4-(aminomethyl)pyridazin-3-yl]-N-methylpiperidine-2-carboxamide
CID 80509107
1-(5-amino-3-bromo-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 79532299
1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 54985518

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-cyano-2-pyridinyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(3-amino-4-cyano-2-pyridinyl)-N-methylpiperidine-2-carboxamide (CID 82817618) is 1-(3-amino-4-cyano-2-pyridinyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(3-amino-4-cyano-2-pyridinyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(3-amino-4-cyano-2-pyridinyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1nccc(C#N)c1N.
What is the InChIKey of 1-(3-amino-4-cyano-2-pyridinyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is UWYPAWHVWYDASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-16-13(19)10-4-2-3-7-18(10)12-11(15)9(8-14)5-6-17-12/h5-6,10H,2-4,7,15H2,1H3,(H,16,19).
What are the key properties of 1-(3-amino-4-cyano-2-pyridinyl)-N-methylpiperidine-2-carboxamide?
1-(3-amino-4-cyano-2-pyridinyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-cyano-2-pyridinyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 82817618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).