N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

C18H25N5O2 — CID 119071489

IUPACN-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)Nc2cc3c(cc2N(C)C)n(C)c(=O)n3C)CC1
InChIInChI=1S/C18H25N5O2/c1-12-6-8-23(9-7-12)17(24)19-13-10-15-16(11-14(13)20(2)3)22(5)18(25)21(15)4/h6,10-11H,7-9H2,1-5H3,(H,19,24)
InChIKeyYZPSZXOEQBZDHV-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.13
Rot. Bonds2

About N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 119071489) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID119071489
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)Nc2cc3c(cc2N(C)C)n(C)c(=O)n3C)CC1
InChIInChI=1S/C18H25N5O2/c1-12-6-8-23(9-7-12)17(24)19-13-10-15-16(11-14(13)20(2)3)22(5)18(25)21(15)4/h6,10-11H,7-9H2,1-5H3,(H,19,24)
InChIKeyYZPSZXOEQBZDHV-UHFFFAOYSA-N
XLogP2.13
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 119071489) is N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is CC1=CCN(C(=O)Nc2cc3c(cc2N(C)C)n(C)c(=O)n3C)CC1.
What is the InChIKey of N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is YZPSZXOEQBZDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-6-8-23(9-7-12)17(24)19-13-10-15-16(11-14(13)20(2)3)22(5)18(25)21(15)4/h6,10-11H,7-9H2,1-5H3,(H,19,24).
What are the key properties of N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 119071489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).