N-cyclopropyl-6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide

C14H15N3O2S — CID 135106664

IUPACN-cyclopropyl-6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N(Cc2nccs2)C2CC2)cn1
InChIInChI=1S/C14H15N3O2S/c1-19-12-5-2-10(8-16-12)14(18)17(11-3-4-11)9-13-15-6-7-20-13/h2,5-8,11H,3-4,9H2,1H3
InChIKeyOBSQYGLPGZWMQG-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.35
Rot. Bonds5

About N-cyclopropyl-6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide

N-cyclopropyl-6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 135106664) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-cyclopropyl-6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
PubChem CID135106664
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-cyclopropyl-6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N(Cc2nccs2)C2CC2)cn1
InChIInChI=1S/C14H15N3O2S/c1-19-12-5-2-10(8-16-12)14(18)17(11-3-4-11)9-13-15-6-7-20-13/h2,5-8,11H,3-4,9H2,1H3
InChIKeyOBSQYGLPGZWMQG-UHFFFAOYSA-N
XLogP2.35
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide (CID 135106664) is N-cyclopropyl-6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide is COc1ccc(C(=O)N(Cc2nccs2)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is OBSQYGLPGZWMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-19-12-5-2-10(8-16-12)14(18)17(11-3-4-11)9-13-15-6-7-20-13/h2,5-8,11H,3-4,9H2,1H3.
What are the key properties of N-cyclopropyl-6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide?
N-cyclopropyl-6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 135106664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).