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'}

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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).