(3R,4R)-4-amino-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C12H18N4O — CID 89470272

IUPAC(3R,4R)-4-amino-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN1C[C@H](N)[C@H](C(=O)NCc2cccnc2)C1
InChIInChI=1S/C12H18N4O/c1-16-7-10(11(13)8-16)12(17)15-6-9-3-2-4-14-5-9/h2-5,10-11H,6-8,13H2,1H3,(H,15,17)/t10-,11+/m1/s1
InChIKeyKXBGQBZJAOSYFS-MNOVXSKESA-N
MW234.30 g/mol
LogP-0.41
Rot. Bonds3

About (3R,4R)-4-amino-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

(3R,4R)-4-amino-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 89470272) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID89470272
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name(3R,4R)-4-amino-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN1C[C@H](N)[C@H](C(=O)NCc2cccnc2)C1
InChIInChI=1S/C12H18N4O/c1-16-7-10(11(13)8-16)12(17)15-6-9-3-2-4-14-5-9/h2-5,10-11H,6-8,13H2,1H3,(H,15,17)/t10-,11+/m1/s1
InChIKeyKXBGQBZJAOSYFS-MNOVXSKESA-N
XLogP-0.41
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133655
(3S,4S)-4-(methoxymethyl)-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110203471
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
(3R,5S)-1-(3-methylsulfanylpropyl)-5-(pyridin-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 133131815
1-N-(2-methyl-6-propan-2-ylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137086
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
(4R,4aR,8aR)-6-ethyl-N-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 134690561
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
(15S)-N-(pyridin-3-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 802639

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-4-amino-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 89470272) is (3R,4R)-4-amino-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-amino-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-4-amino-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is CN1C[C@H](N)[C@H](C(=O)NCc2cccnc2)C1.
What is the InChIKey of (3R,4R)-4-amino-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is KXBGQBZJAOSYFS-MNOVXSKESA-N. The full InChI is InChI=1S/C12H18N4O/c1-16-7-10(11(13)8-16)12(17)15-6-9-3-2-4-14-5-9/h2-5,10-11H,6-8,13H2,1H3,(H,15,17)/t10-,11+/m1/s1.
What are the key properties of (3R,4R)-4-amino-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
(3R,4R)-4-amino-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 89470272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).