5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide

C24H24ClN3O3 — CID 24856836

IUPAC5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide
SMILESC[C@@](O)(CNC(=O)c1cnc(OCc2ccncc2)c(-c2ccc(Cl)cc2)c1)C1CC1
InChIInChI=1S/C24H24ClN3O3/c1-24(30,19-4-5-19)15-28-22(29)18-12-21(17-2-6-20(25)7-3-17)23(27-13-18)31-14-16-8-10-26-11-9-16/h2-3,6-13,19,30H,4-5,14-15H2,1H3,(H,28,29)/t24-/m1/s1
InChIKeyWUBBSZUVWDNQAZ-XMMPIXPASA-N
MW437.93 g/mol
LogP4.27
Rot. Bonds8

About 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide

5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide (PubChem CID 24856836) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide
PubChem CID24856836
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide
SMILESC[C@@](O)(CNC(=O)c1cnc(OCc2ccncc2)c(-c2ccc(Cl)cc2)c1)C1CC1
InChIInChI=1S/C24H24ClN3O3/c1-24(30,19-4-5-19)15-28-22(29)18-12-21(17-2-6-20(25)7-3-17)23(27-13-18)31-14-16-8-10-26-11-9-16/h2-3,6-13,19,30H,4-5,14-15H2,1H3,(H,28,29)/t24-/m1/s1
InChIKeyWUBBSZUVWDNQAZ-XMMPIXPASA-N
XLogP4.27
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide (CID 24856836) is 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide is C[C@@](O)(CNC(=O)c1cnc(OCc2ccncc2)c(-c2ccc(Cl)cc2)c1)C1CC1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide?
The InChIKey is WUBBSZUVWDNQAZ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-24(30,19-4-5-19)15-28-22(29)18-12-21(17-2-6-20(25)7-3-17)23(27-13-18)31-14-16-8-10-26-11-9-16/h2-3,6-13,19,30H,4-5,14-15H2,1H3,(H,28,29)/t24-/m1/s1.
What are the key properties of 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 24856836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).