5-[6-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-pyridinyl]-N-(oxan-2-yloxy)thiophene-2-carboxamide

C24H25N5O3S — CID 58657058

IUPAC5-[6-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-pyridinyl]-N-(oxan-2-yloxy)thiophene-2-carboxamide
SMILESO=C(NOC1CCCCO1)c1ccc(-c2cccc(CNCc3nc4ccccc4[nH]3)n2)s1
InChIInChI=1S/C24H25N5O3S/c30-24(29-32-23-10-3-4-13-31-23)21-12-11-20(33-21)19-9-5-6-16(26-19)14-25-15-22-27-17-7-1-2-8-18(17)28-22/h1-2,5-9,11-12,23,25H,3-4,10,13-15H2,(H,27,28)(H,29,30)
InChIKeyMYUGHYZUFDKAJW-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.16
Rot. Bonds8

About 5-[6-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-pyridinyl]-N-(oxan-2-yloxy)thiophene-2-carboxamide

5-[6-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-pyridinyl]-N-(oxan-2-yloxy)thiophene-2-carboxamide (PubChem CID 58657058) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 5-[6-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-pyridinyl]-N-(oxan-2-yloxy)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[6-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-pyridinyl]-N-(oxan-2-yloxy)thiophene-2-carboxamide
PubChem CID58657058
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name5-[6-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-pyridinyl]-N-(oxan-2-yloxy)thiophene-2-carboxamide
SMILESO=C(NOC1CCCCO1)c1ccc(-c2cccc(CNCc3nc4ccccc4[nH]3)n2)s1
InChIInChI=1S/C24H25N5O3S/c30-24(29-32-23-10-3-4-13-31-23)21-12-11-20(33-21)19-9-5-6-16(26-19)14-25-15-22-27-17-7-1-2-8-18(17)28-22/h1-2,5-9,11-12,23,25H,3-4,10,13-15H2,(H,27,28)(H,29,30)
InChIKeyMYUGHYZUFDKAJW-UHFFFAOYSA-N
XLogP4.16
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[6-[[(4-fluorophenyl)methylamino]methyl]-2-pyridinyl]-N-(oxan-2-yloxy)thiophene-2-carboxamide
CID 58657077
N-(oxan-2-yloxy)-5-[1-(2-phenylethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 58657075
5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxan-2-yloxy)thiophene-2-carboxamide
CID 58657169
N-(oxan-2-yloxy)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide
CID 58657065
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide
CID 51205056
N-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 94824382
N-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
CID 71815541
N-(oxan-2-yloxy)-2-oxo-3-(2-phenylethyl)-1H-quinoxaline-6-carboxamide
CID 71815483
N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 18105109
2-[(4-fluorophenyl)methyl]-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-5-carboxamide
CID 95342216
2-[[5-(1H-benzimidazol-2-ylmethylcarbamoyl)thiophene-2-carbonyl]amino]propanoic acid
CID 154427814

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-pyridinyl]-N-(oxan-2-yloxy)thiophene-2-carboxamide?
The IUPAC name of 5-[6-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-pyridinyl]-N-(oxan-2-yloxy)thiophene-2-carboxamide (CID 58657058) is 5-[6-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-pyridinyl]-N-(oxan-2-yloxy)thiophene-2-carboxamide.
What is the SMILES notation for 5-[6-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-pyridinyl]-N-(oxan-2-yloxy)thiophene-2-carboxamide?
The canonical SMILES for 5-[6-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-pyridinyl]-N-(oxan-2-yloxy)thiophene-2-carboxamide is O=C(NOC1CCCCO1)c1ccc(-c2cccc(CNCc3nc4ccccc4[nH]3)n2)s1.
What is the InChIKey of 5-[6-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-pyridinyl]-N-(oxan-2-yloxy)thiophene-2-carboxamide?
The InChIKey is MYUGHYZUFDKAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c30-24(29-32-23-10-3-4-13-31-23)21-12-11-20(33-21)19-9-5-6-16(26-19)14-25-15-22-27-17-7-1-2-8-18(17)28-22/h1-2,5-9,11-12,23,25H,3-4,10,13-15H2,(H,27,28)(H,29,30).
What are the key properties of 5-[6-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-pyridinyl]-N-(oxan-2-yloxy)thiophene-2-carboxamide?
5-[6-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-pyridinyl]-N-(oxan-2-yloxy)thiophene-2-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 4.16, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-pyridinyl]-N-(oxan-2-yloxy)thiophene-2-carboxamide is sourced from PubChem (CID 58657058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).