N-[2-(3-morpholin-4-ylphenyl)-1H-benzimidazol-4-yl]pyridine-2-carboxamide

C23H21N5O2 — CID 58279364

IUPACN-[2-(3-morpholin-4-ylphenyl)-1H-benzimidazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc2[nH]c(-c3cccc(N4CCOCC4)c3)nc12)c1ccccn1
InChIInChI=1S/C23H21N5O2/c29-23(20-7-1-2-10-24-20)26-19-9-4-8-18-21(19)27-22(25-18)16-5-3-6-17(15-16)28-11-13-30-14-12-28/h1-10,15H,11-14H2,(H,25,27)(H,26,29)
InChIKeyRNBNGIHYWMOOQB-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.71
Rot. Bonds4

About N-[2-(3-morpholin-4-ylphenyl)-1H-benzimidazol-4-yl]pyridine-2-carboxamide

N-[2-(3-morpholin-4-ylphenyl)-1H-benzimidazol-4-yl]pyridine-2-carboxamide (PubChem CID 58279364) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[2-(3-morpholin-4-ylphenyl)-1H-benzimidazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-morpholin-4-ylphenyl)-1H-benzimidazol-4-yl]pyridine-2-carboxamide
PubChem CID58279364
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-[2-(3-morpholin-4-ylphenyl)-1H-benzimidazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc2[nH]c(-c3cccc(N4CCOCC4)c3)nc12)c1ccccn1
InChIInChI=1S/C23H21N5O2/c29-23(20-7-1-2-10-24-20)26-19-9-4-8-18-21(19)27-22(25-18)16-5-3-6-17(15-16)28-11-13-30-14-12-28/h1-10,15H,11-14H2,(H,25,27)(H,26,29)
InChIKeyRNBNGIHYWMOOQB-UHFFFAOYSA-N
XLogP3.71
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-morpholin-4-ylphenyl)-1H-benzimidazol-4-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]morpholine
CID 103597251
4-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide
CID 167849051
1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 59568070
N-(5-fluoro-2-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide
CID 164677875
2-(3-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 141442695
methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide
CID 177001630
4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109208986
4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109208362
4-methyl-N-[5-(3-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide
CID 169248523
N-(4-ethynyl-2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 164678994
N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162620968
4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109218708

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-morpholin-4-ylphenyl)-1H-benzimidazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-morpholin-4-ylphenyl)-1H-benzimidazol-4-yl]pyridine-2-carboxamide (CID 58279364) is N-[2-(3-morpholin-4-ylphenyl)-1H-benzimidazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-morpholin-4-ylphenyl)-1H-benzimidazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-morpholin-4-ylphenyl)-1H-benzimidazol-4-yl]pyridine-2-carboxamide is O=C(Nc1cccc2[nH]c(-c3cccc(N4CCOCC4)c3)nc12)c1ccccn1.
What is the InChIKey of N-[2-(3-morpholin-4-ylphenyl)-1H-benzimidazol-4-yl]pyridine-2-carboxamide?
The InChIKey is RNBNGIHYWMOOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-23(20-7-1-2-10-24-20)26-19-9-4-8-18-21(19)27-22(25-18)16-5-3-6-17(15-16)28-11-13-30-14-12-28/h1-10,15H,11-14H2,(H,25,27)(H,26,29).
What are the key properties of N-[2-(3-morpholin-4-ylphenyl)-1H-benzimidazol-4-yl]pyridine-2-carboxamide?
N-[2-(3-morpholin-4-ylphenyl)-1H-benzimidazol-4-yl]pyridine-2-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-morpholin-4-ylphenyl)-1H-benzimidazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 58279364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).