N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide

C13H16N4O — CID 113412171

IUPACN-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
SMILESCc1ccnc(NCCNC(=O)C2CC2)c1C#N
InChIInChI=1S/C13H16N4O/c1-9-4-5-15-12(11(9)8-14)16-6-7-17-13(18)10-2-3-10/h4-5,10H,2-3,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyJWBRHFPSQCNUBM-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.20
Rot. Bonds5

About N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 113412171) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID113412171
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
SMILESCc1ccnc(NCCNC(=O)C2CC2)c1C#N
InChIInChI=1S/C13H16N4O/c1-9-4-5-15-12(11(9)8-14)16-6-7-17-13(18)10-2-3-10/h4-5,10H,2-3,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyJWBRHFPSQCNUBM-UHFFFAOYSA-N
XLogP1.20
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 115306682
2-[2-(2-hydroxypropylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 104594443
N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3221678
N-[4-[(1S)-1-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 125137451
2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile
CID 107269156
N-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 104696736
2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile
CID 103269649
4-methyl-2-(4,4,4-trifluorobutylamino)pyridine-3-carbonitrile
CID 113327555
4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941151
2-(2-hydroxypropylamino)-4-methylpyridine-3-carbonitrile
CID 77184145
4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile
CID 107268914
4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile
CID 104925639

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide (CID 113412171) is N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide is Cc1ccnc(NCCNC(=O)C2CC2)c1C#N.
What is the InChIKey of N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is JWBRHFPSQCNUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-4-5-15-12(11(9)8-14)16-6-7-17-13(18)10-2-3-10/h4-5,10H,2-3,6-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113412171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).