7-(1-ethyl-2-oxo-4-pyridinyl)-5-[methyl-[2-(methylamino)ethyl]amino]-3H-benzimidazole-4-carboxamide

C19H24N6O2 — CID 135217544

IUPAC7-(1-ethyl-2-oxo-4-pyridinyl)-5-[methyl-[2-(methylamino)ethyl]amino]-3H-benzimidazole-4-carboxamide
SMILESCCn1ccc(-c2cc(N(C)CCNC)c(C(N)=O)c3[nH]cnc23)cc1=O
InChIInChI=1S/C19H24N6O2/c1-4-25-7-5-12(9-15(25)26)13-10-14(24(3)8-6-21-2)16(19(20)27)18-17(13)22-11-23-18/h5,7,9-11,21H,4,6,8H2,1-3H3,(H2,20,27)(H,22,23)
InChIKeyVYEKICPUTICIOK-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.17
Rot. Bonds7

About 7-(1-ethyl-2-oxo-4-pyridinyl)-5-[methyl-[2-(methylamino)ethyl]amino]-3H-benzimidazole-4-carboxamide

7-(1-ethyl-2-oxo-4-pyridinyl)-5-[methyl-[2-(methylamino)ethyl]amino]-3H-benzimidazole-4-carboxamide (PubChem CID 135217544) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 7-(1-ethyl-2-oxo-4-pyridinyl)-5-[methyl-[2-(methylamino)ethyl]amino]-3H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name7-(1-ethyl-2-oxo-4-pyridinyl)-5-[methyl-[2-(methylamino)ethyl]amino]-3H-benzimidazole-4-carboxamide
PubChem CID135217544
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name7-(1-ethyl-2-oxo-4-pyridinyl)-5-[methyl-[2-(methylamino)ethyl]amino]-3H-benzimidazole-4-carboxamide
SMILESCCn1ccc(-c2cc(N(C)CCNC)c(C(N)=O)c3[nH]cnc23)cc1=O
InChIInChI=1S/C19H24N6O2/c1-4-25-7-5-12(9-15(25)26)13-10-14(24(3)8-6-21-2)16(19(20)27)18-17(13)22-11-23-18/h5,7,9-11,21H,4,6,8H2,1-3H3,(H2,20,27)(H,22,23)
InChIKeyVYEKICPUTICIOK-UHFFFAOYSA-N
XLogP1.17
TPSA109.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethyl-2-oxo-4-pyridinyl)-5-[methyl-[2-(methylamino)ethyl]amino]-3H-benzimidazole-4-carboxamide?
The IUPAC name of 7-(1-ethyl-2-oxo-4-pyridinyl)-5-[methyl-[2-(methylamino)ethyl]amino]-3H-benzimidazole-4-carboxamide (CID 135217544) is 7-(1-ethyl-2-oxo-4-pyridinyl)-5-[methyl-[2-(methylamino)ethyl]amino]-3H-benzimidazole-4-carboxamide.
What is the SMILES notation for 7-(1-ethyl-2-oxo-4-pyridinyl)-5-[methyl-[2-(methylamino)ethyl]amino]-3H-benzimidazole-4-carboxamide?
The canonical SMILES for 7-(1-ethyl-2-oxo-4-pyridinyl)-5-[methyl-[2-(methylamino)ethyl]amino]-3H-benzimidazole-4-carboxamide is CCn1ccc(-c2cc(N(C)CCNC)c(C(N)=O)c3[nH]cnc23)cc1=O.
What is the InChIKey of 7-(1-ethyl-2-oxo-4-pyridinyl)-5-[methyl-[2-(methylamino)ethyl]amino]-3H-benzimidazole-4-carboxamide?
The InChIKey is VYEKICPUTICIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-4-25-7-5-12(9-15(25)26)13-10-14(24(3)8-6-21-2)16(19(20)27)18-17(13)22-11-23-18/h5,7,9-11,21H,4,6,8H2,1-3H3,(H2,20,27)(H,22,23).
What are the key properties of 7-(1-ethyl-2-oxo-4-pyridinyl)-5-[methyl-[2-(methylamino)ethyl]amino]-3H-benzimidazole-4-carboxamide?
7-(1-ethyl-2-oxo-4-pyridinyl)-5-[methyl-[2-(methylamino)ethyl]amino]-3H-benzimidazole-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethyl-2-oxo-4-pyridinyl)-5-[methyl-[2-(methylamino)ethyl]amino]-3H-benzimidazole-4-carboxamide is sourced from PubChem (CID 135217544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).