3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)benzimidazole-4-carboxamide

C18H19N5O2 — CID 154801960

IUPAC3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)benzimidazole-4-carboxamide
SMILESCn1cnc2cccc(C(=O)Nc3ccc(N4CCOCC4)cn3)c21
InChIInChI=1S/C18H19N5O2/c1-22-12-20-15-4-2-3-14(17(15)22)18(24)21-16-6-5-13(11-19-16)23-7-9-25-10-8-23/h2-6,11-12H,7-10H2,1H3,(H,19,21,24)
InChIKeyPYSPRZRSXXQHHC-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.06
Rot. Bonds3

About 3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)benzimidazole-4-carboxamide

3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)benzimidazole-4-carboxamide (PubChem CID 154801960) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)benzimidazole-4-carboxamide
PubChem CID154801960
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)benzimidazole-4-carboxamide
SMILESCn1cnc2cccc(C(=O)Nc3ccc(N4CCOCC4)cn3)c21
InChIInChI=1S/C18H19N5O2/c1-22-12-20-15-4-2-3-14(17(15)22)18(24)21-16-6-5-13(11-19-16)23-7-9-25-10-8-23/h2-6,11-12H,7-10H2,1H3,(H,19,21,24)
InChIKeyPYSPRZRSXXQHHC-UHFFFAOYSA-N
XLogP2.06
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828
4-fluoro-3,5-dimethyl-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 146084918
2-(difluoromethoxy)-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 25345280
N-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 38141318
N-(5-morpholin-4-yl-2-pyridinyl)-3-(tetrazol-1-yl)benzamide
CID 134053219
1-(2,6-difluorophenyl)-4-methyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazole-3-carboxamide
CID 119044309
6-methoxy-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide
CID 134053283
N-(5-morpholin-4-yl-2-pyridinyl)-2-oxochromene-3-carboxamide
CID 47020558
N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 134053222
3-(2-methyl-4-oxoquinazolin-3-yl)-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
CID 37029167
3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 134053278
3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
CID 25469896

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)benzimidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)benzimidazole-4-carboxamide (CID 154801960) is 3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)benzimidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)benzimidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)benzimidazole-4-carboxamide is Cn1cnc2cccc(C(=O)Nc3ccc(N4CCOCC4)cn3)c21.
What is the InChIKey of 3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)benzimidazole-4-carboxamide?
The InChIKey is PYSPRZRSXXQHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-22-12-20-15-4-2-3-14(17(15)22)18(24)21-16-6-5-13(11-19-16)23-7-9-25-10-8-23/h2-6,11-12H,7-10H2,1H3,(H,19,21,24).
What are the key properties of 3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)benzimidazole-4-carboxamide?
3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)benzimidazole-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)benzimidazole-4-carboxamide is sourced from PubChem (CID 154801960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).