N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide

C18H19FN4O3 — CID 137453592

IUPACN-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide
SMILESCCn1cnc2ccc(OC)c(CNC(=O)c3cnc(OC)c(F)c3)c21
InChIInChI=1S/C18H19FN4O3/c1-4-23-10-22-14-5-6-15(25-2)12(16(14)23)9-20-17(24)11-7-13(19)18(26-3)21-8-11/h5-8,10H,4,9H2,1-3H3,(H,20,24)
InChIKeyDPKDMKCDXSNDKS-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.54
Rot. Bonds6

About N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide

N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide (PubChem CID 137453592) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide
PubChem CID137453592
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC NameN-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide
SMILESCCn1cnc2ccc(OC)c(CNC(=O)c3cnc(OC)c(F)c3)c21
InChIInChI=1S/C18H19FN4O3/c1-4-23-10-22-14-5-6-15(25-2)12(16(14)23)9-20-17(24)11-7-13(19)18(26-3)21-8-11/h5-8,10H,4,9H2,1-3H3,(H,20,24)
InChIKeyDPKDMKCDXSNDKS-UHFFFAOYSA-N
XLogP2.54
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide
CID 137453613
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 137453498
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4,5-dimethylbenzamide
CID 137453630
4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 137453696
5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide
CID 142522029
3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide
CID 137453632
5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide
CID 142522009
N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 154659672
N-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide
CID 146643951
3,5-difluoro-4-methoxy-N-[(5-methoxy-2,3-dihydro-1H-benzotriazol-4-yl)methyl]benzamide
CID 137453514
5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide
CID 137453507
4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide
CID 91773799

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide (CID 137453592) is N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide is CCn1cnc2ccc(OC)c(CNC(=O)c3cnc(OC)c(F)c3)c21.
What is the InChIKey of N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide?
The InChIKey is DPKDMKCDXSNDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-4-23-10-22-14-5-6-15(25-2)12(16(14)23)9-20-17(24)11-7-13(19)18(26-3)21-8-11/h5-8,10H,4,9H2,1-3H3,(H,20,24).
What are the key properties of N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide?
N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 137453592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).