5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride

C17H21ClN4OS — CID 120998626

IUPAC5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncc(C2CCNCC2)s1)c1ccc(C2CC2)cn1
InChIInChI=1S/C17H20N4OS.ClH/c22-16(14-4-3-13(9-19-14)11-1-2-11)21-17-20-10-15(23-17)12-5-7-18-8-6-12;/h3-4,9-12,18H,1-2,5-8H2,(H,20,21,22);1H
InChIKeyAMTCCSQKESNEHH-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.56
Rot. Bonds4

About 5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride

5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride (PubChem CID 120998626) has the molecular formula C17H21ClN4OS and a molecular weight of 364.90 g/mol. Its IUPAC name is 5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride
PubChem CID120998626
Molecular FormulaC17H21ClN4OS
Molecular Weight364.90 g/mol
Exact Mass364.11
IUPAC Name5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncc(C2CCNCC2)s1)c1ccc(C2CC2)cn1
InChIInChI=1S/C17H20N4OS.ClH/c22-16(14-4-3-13(9-19-14)11-1-2-11)21-17-20-10-15(23-17)12-5-7-18-8-6-12;/h3-4,9-12,18H,1-2,5-8H2,(H,20,21,22);1H
InChIKeyAMTCCSQKESNEHH-UHFFFAOYSA-N
XLogP3.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride (CID 120998626) is 5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ncc(C2CCNCC2)s1)c1ccc(C2CC2)cn1.
What is the InChIKey of 5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride?
The InChIKey is AMTCCSQKESNEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS.ClH/c22-16(14-4-3-13(9-19-14)11-1-2-11)21-17-20-10-15(23-17)12-5-7-18-8-6-12;/h3-4,9-12,18H,1-2,5-8H2,(H,20,21,22);1H.
What are the key properties of 5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride?
5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride has a molecular weight of 364.90 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120998626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).