(3S)-N-[2-(dimethylamino)ethyl]-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide

C17H24N4O — CID 92752193

IUPAC(3S)-N-[2-(dimethylamino)ethyl]-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
SMILESC[C@H]1CCn2c(nc3cc(C(=O)NCCN(C)C)ccc32)C1
InChIInChI=1S/C17H24N4O/c1-12-6-8-21-15-5-4-13(11-14(15)19-16(21)10-12)17(22)18-7-9-20(2)3/h4-5,11-12H,6-10H2,1-3H3,(H,18,22)/t12-/m0/s1
InChIKeyNAYFHFHDKBSTHH-LBPRGKRZSA-N
MW300.41 g/mol
LogP1.91
Rot. Bonds4

About (3S)-N-[2-(dimethylamino)ethyl]-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide

(3S)-N-[2-(dimethylamino)ethyl]-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide (PubChem CID 92752193) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (3S)-N-[2-(dimethylamino)ethyl]-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(dimethylamino)ethyl]-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
PubChem CID92752193
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(3S)-N-[2-(dimethylamino)ethyl]-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
SMILESC[C@H]1CCn2c(nc3cc(C(=O)NCCN(C)C)ccc32)C1
InChIInChI=1S/C17H24N4O/c1-12-6-8-21-15-5-4-13(11-14(15)19-16(21)10-12)17(22)18-7-9-20(2)3/h4-5,11-12H,6-10H2,1-3H3,(H,18,22)/t12-/m0/s1
InChIKeyNAYFHFHDKBSTHH-LBPRGKRZSA-N
XLogP1.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2-methoxyethyl)-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
CID 92752194
(3S)-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid
CID 94217380
3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
CID 91675306
3-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid
CID 121199751
N,2-diethyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide
CID 25251653
N-[2-(dimethylamino)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42356079
N-[2-(dimethylamino)ethyl]-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095413
N-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 25097528
N-(3-piperidin-1-ylpropyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide
CID 22579615
N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide
CID 110692569
N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298960
3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 163329159

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(dimethylamino)ethyl]-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
The IUPAC name of (3S)-N-[2-(dimethylamino)ethyl]-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide (CID 92752193) is (3S)-N-[2-(dimethylamino)ethyl]-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide.
What is the SMILES notation for (3S)-N-[2-(dimethylamino)ethyl]-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
The canonical SMILES for (3S)-N-[2-(dimethylamino)ethyl]-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide is C[C@H]1CCn2c(nc3cc(C(=O)NCCN(C)C)ccc32)C1.
What is the InChIKey of (3S)-N-[2-(dimethylamino)ethyl]-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
The InChIKey is NAYFHFHDKBSTHH-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12-6-8-21-15-5-4-13(11-14(15)19-16(21)10-12)17(22)18-7-9-20(2)3/h4-5,11-12H,6-10H2,1-3H3,(H,18,22)/t12-/m0/s1.
What are the key properties of (3S)-N-[2-(dimethylamino)ethyl]-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
(3S)-N-[2-(dimethylamino)ethyl]-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(dimethylamino)ethyl]-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide is sourced from PubChem (CID 92752193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).