5-N-cyclopropyl-3-N-methyl-2-oxo-1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-ylmethyl)pyridine-3,5-dicarboxamide

C19H23N5O3 — CID 135323828

IUPAC5-N-cyclopropyl-3-N-methyl-2-oxo-1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cn(CC2CCCc3[nH]cnc32)c1=O
InChIInChI=1S/C19H23N5O3/c1-20-18(26)14-7-12(17(25)23-13-5-6-13)9-24(19(14)27)8-11-3-2-4-15-16(11)22-10-21-15/h7,9-11,13H,2-6,8H2,1H3,(H,20,26)(H,21,22)(H,23,25)
InChIKeySPPGQCQHHWFEIB-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.94
Rot. Bonds5

About 5-N-cyclopropyl-3-N-methyl-2-oxo-1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-ylmethyl)pyridine-3,5-dicarboxamide

5-N-cyclopropyl-3-N-methyl-2-oxo-1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 135323828) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-N-cyclopropyl-3-N-methyl-2-oxo-1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclopropyl-3-N-methyl-2-oxo-1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID135323828
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name5-N-cyclopropyl-3-N-methyl-2-oxo-1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cn(CC2CCCc3[nH]cnc32)c1=O
InChIInChI=1S/C19H23N5O3/c1-20-18(26)14-7-12(17(25)23-13-5-6-13)9-24(19(14)27)8-11-3-2-4-15-16(11)22-10-21-15/h7,9-11,13H,2-6,8H2,1H3,(H,20,26)(H,21,22)(H,23,25)
InChIKeySPPGQCQHHWFEIB-UHFFFAOYSA-N
XLogP0.94
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-3-N-methyl-2-oxo-1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-cyclopropyl-3-N-methyl-2-oxo-1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-ylmethyl)pyridine-3,5-dicarboxamide (CID 135323828) is 5-N-cyclopropyl-3-N-methyl-2-oxo-1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclopropyl-3-N-methyl-2-oxo-1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cyclopropyl-3-N-methyl-2-oxo-1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-ylmethyl)pyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CC2)cn(CC2CCCc3[nH]cnc32)c1=O.
What is the InChIKey of 5-N-cyclopropyl-3-N-methyl-2-oxo-1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is SPPGQCQHHWFEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-20-18(26)14-7-12(17(25)23-13-5-6-13)9-24(19(14)27)8-11-3-2-4-15-16(11)22-10-21-15/h7,9-11,13H,2-6,8H2,1H3,(H,20,26)(H,21,22)(H,23,25).
What are the key properties of 5-N-cyclopropyl-3-N-methyl-2-oxo-1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-ylmethyl)pyridine-3,5-dicarboxamide?
5-N-cyclopropyl-3-N-methyl-2-oxo-1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 369.43 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-3-N-methyl-2-oxo-1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 135323828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).