2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-methyl-N-phenylacetamide

C17H17ClN4O — CID 154666931

IUPAC2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-methyl-N-phenylacetamide
SMILESCc1nc(NCC(=O)N(C)c2ccccc2)c(C#N)c(C)c1Cl
InChIInChI=1S/C17H17ClN4O/c1-11-14(9-19)17(21-12(2)16(11)18)20-10-15(23)22(3)13-7-5-4-6-8-13/h4-8H,10H2,1-3H3,(H,20,21)
InChIKeyKLNKXRDCCFCECV-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.30
Rot. Bonds4

About 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-methyl-N-phenylacetamide

2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-methyl-N-phenylacetamide (PubChem CID 154666931) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-methyl-N-phenylacetamide
PubChem CID154666931
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-methyl-N-phenylacetamide
SMILESCc1nc(NCC(=O)N(C)c2ccccc2)c(C#N)c(C)c1Cl
InChIInChI=1S/C17H17ClN4O/c1-11-14(9-19)17(21-12(2)16(11)18)20-10-15(23)22(3)13-7-5-4-6-8-13/h4-8H,10H2,1-3H3,(H,20,21)
InChIKeyKLNKXRDCCFCECV-UHFFFAOYSA-N
XLogP3.30
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-methyl-N-phenylacetamide (CID 154666931) is 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-methyl-N-phenylacetamide is Cc1nc(NCC(=O)N(C)c2ccccc2)c(C#N)c(C)c1Cl.
What is the InChIKey of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-methyl-N-phenylacetamide?
The InChIKey is KLNKXRDCCFCECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-11-14(9-19)17(21-12(2)16(11)18)20-10-15(23)22(3)13-7-5-4-6-8-13/h4-8H,10H2,1-3H3,(H,20,21).
What are the key properties of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-methyl-N-phenylacetamide?
2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-methyl-N-phenylacetamide has a molecular weight of 328.80 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 154666931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).