N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide

C29H25N5O5 — CID 20694989

IUPACN-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5cccnc5)cc4)[nH]c3c2)cc(OC)c1OC
InChIInChI=1S/C29H25N5O5/c1-37-24-13-19(14-25(38-2)26(24)39-3)29(36)32-21-10-11-22-23(15-21)34-27(33-22)17-6-8-20(9-7-17)31-28(35)18-5-4-12-30-16-18/h4-16H,1-3H3,(H,31,35)(H,32,36)(H,33,34)
InChIKeyVNHFRMZJTYSVFS-UHFFFAOYSA-N
MW523.55 g/mol
LogP5.16
Rot. Bonds8

About N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide

N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 20694989) has the molecular formula C29H25N5O5 and a molecular weight of 523.55 g/mol. Its IUPAC name is N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide
PubChem CID20694989
Molecular FormulaC29H25N5O5
Molecular Weight523.55 g/mol
Exact Mass523.19
IUPAC NameN-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5cccnc5)cc4)[nH]c3c2)cc(OC)c1OC
InChIInChI=1S/C29H25N5O5/c1-37-24-13-19(14-25(38-2)26(24)39-3)29(36)32-21-10-11-22-23(15-21)34-27(33-22)17-6-8-20(9-7-17)31-28(35)18-5-4-12-30-16-18/h4-16H,1-3H3,(H,31,35)(H,32,36)(H,33,34)
InChIKeyVNHFRMZJTYSVFS-UHFFFAOYSA-N
XLogP5.16
TPSA127.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.55
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide (CID 20694989) is N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide is COc1cc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5cccnc5)cc4)[nH]c3c2)cc(OC)c1OC.
What is the InChIKey of N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is VNHFRMZJTYSVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O5/c1-37-24-13-19(14-25(38-2)26(24)39-3)29(36)32-21-10-11-22-23(15-21)34-27(33-22)17-6-8-20(9-7-17)31-28(35)18-5-4-12-30-16-18/h4-16H,1-3H3,(H,31,35)(H,32,36)(H,33,34).
What are the key properties of N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide?
N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 523.55 g/mol, XLogP of 5.16, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 20694989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).