3-[(6-cyano-3-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide

C15H15N5O — CID 86782085

IUPAC3-[(6-cyano-3-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCNc2ccc(C#N)nc2)n1
InChIInChI=1S/C15H15N5O/c1-11-3-2-4-14(19-11)20-15(21)7-8-17-13-6-5-12(9-16)18-10-13/h2-6,10,17H,7-8H2,1H3,(H,19,20,21)
InChIKeyUKGVUXRVPNNFOT-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.10
Rot. Bonds5

About 3-[(6-cyano-3-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide

3-[(6-cyano-3-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 86782085) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[(6-cyano-3-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[(6-cyano-3-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID86782085
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-[(6-cyano-3-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCNc2ccc(C#N)nc2)n1
InChIInChI=1S/C15H15N5O/c1-11-3-2-4-14(19-11)20-15(21)7-8-17-13-6-5-12(9-16)18-10-13/h2-6,10,17H,7-8H2,1H3,(H,19,20,21)
InChIKeyUKGVUXRVPNNFOT-UHFFFAOYSA-N
XLogP2.10
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-cyano-2-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 133392288
3-(5-acetyl-2-cyanoanilino)-N-(6-methyl-2-pyridinyl)propanamide
CID 133456857
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
6-[(6-cyano-3-pyridinyl)amino]hexanoic acid
CID 115487217
N'-(6-methyl-2-pyridinyl)butanediamide
CID 91273300
N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide
CID 86861206
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate
CID 64589745
N'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide
CID 44997660
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362
N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide
CID 138582546

Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyano-3-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[(6-cyano-3-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide (CID 86782085) is 3-[(6-cyano-3-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[(6-cyano-3-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[(6-cyano-3-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide is Cc1cccc(NC(=O)CCNc2ccc(C#N)nc2)n1.
What is the InChIKey of 3-[(6-cyano-3-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is UKGVUXRVPNNFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-11-3-2-4-14(19-11)20-15(21)7-8-17-13-6-5-12(9-16)18-10-13/h2-6,10,17H,7-8H2,1H3,(H,19,20,21).
What are the key properties of 3-[(6-cyano-3-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide?
3-[(6-cyano-3-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 281.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyano-3-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 86782085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).