(2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C15H24N4O — CID 104901002

IUPAC(2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(C)CCN(Cc1cccnc1)C(=O)[C@H]1CCCN1
InChIInChI=1S/C15H24N4O/c1-18(2)9-10-19(12-13-5-3-7-16-11-13)15(20)14-6-4-8-17-14/h3,5,7,11,14,17H,4,6,8-10,12H2,1-2H3/t14-/m1/s1
InChIKeySJIREONOLUMQRV-CQSZACIVSA-N
MW276.38 g/mol
LogP0.72
Rot. Bonds6

About (2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

(2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 104901002) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID104901002
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(C)CCN(Cc1cccnc1)C(=O)[C@H]1CCCN1
InChIInChI=1S/C15H24N4O/c1-18(2)9-10-19(12-13-5-3-7-16-11-13)15(20)14-6-4-8-17-14/h3,5,7,11,14,17H,4,6,8-10,12H2,1-2H3/t14-/m1/s1
InChIKeySJIREONOLUMQRV-CQSZACIVSA-N
XLogP0.72
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61155587
N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958234
N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 54873750
(2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 93375226
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
(2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 93375227
N-benzyl-N-propylazepane-2-carboxamide
CID 64564177
2-bromo-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 107904634
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 81126278
tert-butyl N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)carbamate
CID 63788521
(E)-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoic acid
CID 60951962
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 104901002) is (2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is CN(C)CCN(Cc1cccnc1)C(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is SJIREONOLUMQRV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18(2)9-10-19(12-13-5-3-7-16-11-13)15(20)14-6-4-8-17-14/h3,5,7,11,14,17H,4,6,8-10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
(2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 104901002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).