N-[5-chloro-4-[3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]pyridine-3-carboxamide

C24H22ClN5O2 — CID 90412862

IUPACN-[5-chloro-4-[3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc3ncn(CC4CCOCC4)c3c2)c(Cl)cn1)c1cccnc1
InChIInChI=1S/C24H22ClN5O2/c25-20-13-27-23(29-24(31)18-2-1-7-26-12-18)11-19(20)17-3-4-21-22(10-17)30(15-28-21)14-16-5-8-32-9-6-16/h1-4,7,10-13,15-16H,5-6,8-9,14H2,(H,27,29,31)
InChIKeyUUYNUNMTWFPZPL-UHFFFAOYSA-N
MW447.93 g/mol
LogP4.83
Rot. Bonds5

About N-[5-chloro-4-[3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]pyridine-3-carboxamide

N-[5-chloro-4-[3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 90412862) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is N-[5-chloro-4-[3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-[3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID90412862
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC NameN-[5-chloro-4-[3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc3ncn(CC4CCOCC4)c3c2)c(Cl)cn1)c1cccnc1
InChIInChI=1S/C24H22ClN5O2/c25-20-13-27-23(29-24(31)18-2-1-7-26-12-18)11-19(20)17-3-4-21-22(10-17)30(15-28-21)14-16-5-8-32-9-6-16/h1-4,7,10-13,15-16H,5-6,8-9,14H2,(H,27,29,31)
InChIKeyUUYNUNMTWFPZPL-UHFFFAOYSA-N
XLogP4.83
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-chloro-4-[3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 90412862) is N-[5-chloro-4-[3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-4-[3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-chloro-4-[3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]pyridine-3-carboxamide is O=C(Nc1cc(-c2ccc3ncn(CC4CCOCC4)c3c2)c(Cl)cn1)c1cccnc1.
What is the InChIKey of N-[5-chloro-4-[3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is UUYNUNMTWFPZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c25-20-13-27-23(29-24(31)18-2-1-7-26-12-18)11-19(20)17-3-4-21-22(10-17)30(15-28-21)14-16-5-8-32-9-6-16/h1-4,7,10-13,15-16H,5-6,8-9,14H2,(H,27,29,31).
What are the key properties of N-[5-chloro-4-[3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]pyridine-3-carboxamide?
N-[5-chloro-4-[3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 447.93 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 90412862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).