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

C12H15ClN4O — CID 113408047

IUPAC2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C12H15ClN4O/c1-7(2)15-12(18)8(3)16-11-5-9(6-14)4-10(13)17-11/h4-5,7-8H,1-3H3,(H,15,18)(H,16,17)
InChIKeyJDDOWDDIEKJWBS-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.93
Rot. Bonds4

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

2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide (PubChem CID 113408047) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide
PubChem CID113408047
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C12H15ClN4O/c1-7(2)15-12(18)8(3)16-11-5-9(6-14)4-10(13)17-11/h4-5,7-8H,1-3H3,(H,15,18)(H,16,17)
InChIKeyJDDOWDDIEKJWBS-UHFFFAOYSA-N
XLogP1.93
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide (CID 113408047) is 2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Nc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is JDDOWDDIEKJWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-7(2)15-12(18)8(3)16-11-5-9(6-14)4-10(13)17-11/h4-5,7-8H,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide?
2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 266.73 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113408047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).