2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide

C13H18N4O — CID 114766584

IUPAC2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
SMILESCc1cc(C#N)cc(NC(C)C(=O)NC(C)C)n1
InChIInChI=1S/C13H18N4O/c1-8(2)15-13(18)10(4)17-12-6-11(7-14)5-9(3)16-12/h5-6,8,10H,1-4H3,(H,15,18)(H,16,17)
InChIKeyXHGFZSOLAQQDPK-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.59
Rot. Bonds4

About 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide

2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide (PubChem CID 114766584) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
PubChem CID114766584
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
SMILESCc1cc(C#N)cc(NC(C)C(=O)NC(C)C)n1
InChIInChI=1S/C13H18N4O/c1-8(2)15-13(18)10(4)17-12-6-11(7-14)5-9(3)16-12/h5-6,8,10H,1-4H3,(H,15,18)(H,16,17)
InChIKeyXHGFZSOLAQQDPK-UHFFFAOYSA-N
XLogP1.59
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide (CID 114766584) is 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide is Cc1cc(C#N)cc(NC(C)C(=O)NC(C)C)n1.
What is the InChIKey of 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is XHGFZSOLAQQDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8(2)15-13(18)10(4)17-12-6-11(7-14)5-9(3)16-12/h5-6,8,10H,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide?
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 114766584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).