N-[(5-cyclopropyl-6-methoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide

C25H23N5O2S — CID 46191729

IUPACN-[(5-cyclopropyl-6-methoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCOc1nc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)ccc1C1CC1
InChIInChI=1S/C25H23N5O2S/c1-15-9-17(12-26-11-15)22-10-20(21(14-28-22)25-27-7-8-33-25)23(31)29-13-18-5-6-19(16-3-4-16)24(30-18)32-2/h5-12,14,16H,3-4,13H2,1-2H3,(H,29,31)
InChIKeyIVIBTAHBQDWLMQ-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.79
Rot. Bonds7

About N-[(5-cyclopropyl-6-methoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide

N-[(5-cyclopropyl-6-methoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide (PubChem CID 46191729) has the molecular formula C25H23N5O2S and a molecular weight of 457.56 g/mol. Its IUPAC name is N-[(5-cyclopropyl-6-methoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-6-methoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide
PubChem CID46191729
Molecular FormulaC25H23N5O2S
Molecular Weight457.56 g/mol
Exact Mass457.16
IUPAC NameN-[(5-cyclopropyl-6-methoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCOc1nc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)ccc1C1CC1
InChIInChI=1S/C25H23N5O2S/c1-15-9-17(12-26-11-15)22-10-20(21(14-28-22)25-27-7-8-33-25)23(31)29-13-18-5-6-19(16-3-4-16)24(30-18)32-2/h5-12,14,16H,3-4,13H2,1-2H3,(H,29,31)
InChIKeyIVIBTAHBQDWLMQ-UHFFFAOYSA-N
XLogP4.79
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-6-methoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(5-cyclopropyl-6-methoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide (CID 46191729) is N-[(5-cyclopropyl-6-methoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-6-methoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(5-cyclopropyl-6-methoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide is COc1nc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)ccc1C1CC1.
What is the InChIKey of N-[(5-cyclopropyl-6-methoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is IVIBTAHBQDWLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S/c1-15-9-17(12-26-11-15)22-10-20(21(14-28-22)25-27-7-8-33-25)23(31)29-13-18-5-6-19(16-3-4-16)24(30-18)32-2/h5-12,14,16H,3-4,13H2,1-2H3,(H,29,31).
What are the key properties of N-[(5-cyclopropyl-6-methoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide?
N-[(5-cyclopropyl-6-methoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-6-methoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 46191729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).