2-chloro-6-(dimethylamino)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyridine-4-carboxamide

C16H25ClN4O2 — CID 95625511

IUPAC2-chloro-6-(dimethylamino)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyridine-4-carboxamide
SMILESCOCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)nc(N(C)C)c1
InChIInChI=1S/C16H25ClN4O2/c1-20(2)15-10-12(9-14(17)19-15)16(22)18-11-13-5-4-6-21(13)7-8-23-3/h9-10,13H,4-8,11H2,1-3H3,(H,18,22)/t13-/m1/s1
InChIKeyDDKCFWFWRZUQBI-CYBMUJFWSA-N
MW340.86 g/mol
LogP1.64
Rot. Bonds7

About 2-chloro-6-(dimethylamino)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyridine-4-carboxamide

2-chloro-6-(dimethylamino)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 95625511) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is 2-chloro-6-(dimethylamino)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(dimethylamino)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyridine-4-carboxamide
PubChem CID95625511
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC Name2-chloro-6-(dimethylamino)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyridine-4-carboxamide
SMILESCOCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)nc(N(C)C)c1
InChIInChI=1S/C16H25ClN4O2/c1-20(2)15-10-12(9-14(17)19-15)16(22)18-11-13-5-4-6-21(13)7-8-23-3/h9-10,13H,4-8,11H2,1-3H3,(H,18,22)/t13-/m1/s1
InChIKeyDDKCFWFWRZUQBI-CYBMUJFWSA-N
XLogP1.64
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-(dimethylamino)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylsulfonylbenzamide
CID 95271489
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide
CID 97266069
1-(3-acetylphenyl)-3-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]urea
CID 95155114
4-chloro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-nitrobenzamide
CID 95285833
3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride
CID 119874866
2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 95296221
tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate
CID 60606736
3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 43109626
2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid
CID 114137693
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide
CID 119874861
2-(1-hydroxycyclopentyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 111430877
3,5-dichloro-N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
CID 11440307

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(dimethylamino)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(dimethylamino)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyridine-4-carboxamide (CID 95625511) is 2-chloro-6-(dimethylamino)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(dimethylamino)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(dimethylamino)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyridine-4-carboxamide is COCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)nc(N(C)C)c1.
What is the InChIKey of 2-chloro-6-(dimethylamino)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is DDKCFWFWRZUQBI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25ClN4O2/c1-20(2)15-10-12(9-14(17)19-15)16(22)18-11-13-5-4-6-21(13)7-8-23-3/h9-10,13H,4-8,11H2,1-3H3,(H,18,22)/t13-/m1/s1.
What are the key properties of 2-chloro-6-(dimethylamino)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyridine-4-carboxamide?
2-chloro-6-(dimethylamino)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 340.86 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(dimethylamino)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 95625511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).