2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide

C13H18N4O — CID 63883092

IUPAC2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccnc(C#N)c1
InChIInChI=1S/C13H18N4O/c1-3-5-16-13(18)10(2)17-9-11-4-6-15-12(7-11)8-14/h4,6-7,10,17H,3,5,9H2,1-2H3,(H,16,18)
InChIKeyQCHDNLCKARBUQI-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.96
Rot. Bonds6

About 2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide

2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide (PubChem CID 63883092) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide
PubChem CID63883092
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccnc(C#N)c1
InChIInChI=1S/C13H18N4O/c1-3-5-16-13(18)10(2)17-9-11-4-6-15-12(7-11)8-14/h4,6-7,10,17H,3,5,9H2,1-2H3,(H,16,18)
InChIKeyQCHDNLCKARBUQI-UHFFFAOYSA-N
XLogP0.96
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-cyano-4-pyridinyl)methylamino]propanoate
CID 63880745
(2-cyano-4-pyridinyl)methylcarbamic acid
CID 126744334
4-[(but-3-yn-2-ylamino)methyl]pyridine-2-carbonitrile
CID 114416679
4-[(3,3-dimethylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 115752803
2-[(2-cyano-4-pyridinyl)methyl-methylamino]-N-propylacetamide
CID 63886350
N-propyl-2-(quinolin-6-ylmethylamino)propanamide
CID 60659073
N-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide
CID 63883080
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 60702818
4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63882521
4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile
CID 63883285
N-butyl-2-[(4-cyanophenyl)methylamino]propanamide
CID 54936803
2-[(4-iodophenyl)methylamino]-N-propylpropanamide
CID 65477779

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide (CID 63883092) is 2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1ccnc(C#N)c1.
What is the InChIKey of 2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide?
The InChIKey is QCHDNLCKARBUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-5-16-13(18)10(2)17-9-11-4-6-15-12(7-11)8-14/h4,6-7,10,17H,3,5,9H2,1-2H3,(H,16,18).
What are the key properties of 2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide?
2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 63883092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).