N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide

C22H20FN5O2 — CID 172658239

IUPACN-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide
SMILESCc1ccn(-c2cccnc2)c(=O)c1C(=O)NCCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C22H20FN5O2/c1-14-8-11-28(16-4-2-9-24-13-16)22(30)20(14)21(29)25-10-3-5-19-26-17-7-6-15(23)12-18(17)27-19/h2,4,6-9,11-13H,3,5,10H2,1H3,(H,25,29)(H,26,27)
InChIKeyQTMFGUVQDNPFHL-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.92
Rot. Bonds6

About N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide

N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 172658239) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide
PubChem CID172658239
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide
SMILESCc1ccn(-c2cccnc2)c(=O)c1C(=O)NCCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C22H20FN5O2/c1-14-8-11-28(16-4-2-9-24-13-16)22(30)20(14)21(29)25-10-3-5-19-26-17-7-6-15(23)12-18(17)27-19/h2,4,6-9,11-13H,3,5,10H2,1H3,(H,25,29)(H,26,27)
InChIKeyQTMFGUVQDNPFHL-UHFFFAOYSA-N
XLogP2.92
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-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

N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 162625615
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide
CID 172656289
2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 118775456
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 122568490
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide
CID 91781034
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-pyridin-3-ylacetamide
CID 91786223
2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
CID 90650123
1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide
CID 172658534
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
CID 90653183
1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172660894
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 131945376
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133349441

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide (CID 172658239) is N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide is Cc1ccn(-c2cccnc2)c(=O)c1C(=O)NCCCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is QTMFGUVQDNPFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-14-8-11-28(16-4-2-9-24-13-16)22(30)20(14)21(29)25-10-3-5-19-26-17-7-6-15(23)12-18(17)27-19/h2,4,6-9,11-13H,3,5,10H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide?
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 172658239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).