2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide

C18H17ClN4OS — CID 99807622

IUPAC2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide
SMILESCc1csc(N(C(=O)c2cc(Cl)nc(N(C)C)c2)c2ccccc2)n1
InChIInChI=1S/C18H17ClN4OS/c1-12-11-25-18(20-12)23(14-7-5-4-6-8-14)17(24)13-9-15(19)21-16(10-13)22(2)3/h4-11H,1-3H3
InChIKeySZSRFZMNEKKUTM-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.54
Rot. Bonds4

About 2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide

2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide (PubChem CID 99807622) has the molecular formula C18H17ClN4OS and a molecular weight of 372.88 g/mol. Its IUPAC name is 2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide
PubChem CID99807622
Molecular FormulaC18H17ClN4OS
Molecular Weight372.88 g/mol
Exact Mass372.08
IUPAC Name2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide
SMILESCc1csc(N(C(=O)c2cc(Cl)nc(N(C)C)c2)c2ccccc2)n1
InChIInChI=1S/C18H17ClN4OS/c1-12-11-25-18(20-12)23(14-7-5-4-6-8-14)17(24)13-9-15(19)21-16(10-13)22(2)3/h4-11H,1-3H3
InChIKeySZSRFZMNEKKUTM-UHFFFAOYSA-N
XLogP4.54
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide (CID 99807622) is 2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide is Cc1csc(N(C(=O)c2cc(Cl)nc(N(C)C)c2)c2ccccc2)n1.
What is the InChIKey of 2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide?
The InChIKey is SZSRFZMNEKKUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4OS/c1-12-11-25-18(20-12)23(14-7-5-4-6-8-14)17(24)13-9-15(19)21-16(10-13)22(2)3/h4-11H,1-3H3.
What are the key properties of 2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide?
2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide has a molecular weight of 372.88 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 99807622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).