(3S,4S)-4-(methoxymethyl)-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

C17H21N5O2 — CID 110203471

IUPAC(3S,4S)-4-(methoxymethyl)-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(c2ncccn2)C[C@H]1C(=O)NCc1cccnc1
InChIInChI=1S/C17H21N5O2/c1-24-12-14-10-22(17-19-6-3-7-20-17)11-15(14)16(23)21-9-13-4-2-5-18-8-13/h2-8,14-15H,9-12H2,1H3,(H,21,23)/t14-,15+/m0/s1
InChIKeyOAMPGIYYPFDUAE-LSDHHAIUSA-N
MW327.39 g/mol
LogP0.89
Rot. Bonds6

About (3S,4S)-4-(methoxymethyl)-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

(3S,4S)-4-(methoxymethyl)-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (PubChem CID 110203471) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (3S,4S)-4-(methoxymethyl)-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-(methoxymethyl)-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
PubChem CID110203471
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(3S,4S)-4-(methoxymethyl)-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(c2ncccn2)C[C@H]1C(=O)NCc1cccnc1
InChIInChI=1S/C17H21N5O2/c1-24-12-14-10-22(17-19-6-3-7-20-17)11-15(14)16(23)21-9-13-4-2-5-18-8-13/h2-8,14-15H,9-12H2,1H3,(H,21,23)/t14-,15+/m0/s1
InChIKeyOAMPGIYYPFDUAE-LSDHHAIUSA-N
XLogP0.89
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyridin-3-ylmethyl)-3-pyrimidin-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 131662584
N-(pyridin-3-ylmethyl)-3-pyrimidin-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155843544
(3R,4R)-4-amino-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 89470272
N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56868752
(3S,4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidine-3-carboxamide
CID 134804682
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137034
(1R,5S,6R)-3-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 124790206
N-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-1-pyrimidin-4-ylpyrrolidine-3-carboxamide
CID 156611463
3-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 131645815
1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3590836
methyl (2S,4S,5R)-5-(2,3-difluorophenyl)-1-methyl-4-(pyridin-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylate
CID 25289201
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(methoxymethyl)-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-(methoxymethyl)-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (CID 110203471) is (3S,4S)-4-(methoxymethyl)-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-(methoxymethyl)-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-(methoxymethyl)-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is COC[C@@H]1CN(c2ncccn2)C[C@H]1C(=O)NCc1cccnc1.
What is the InChIKey of (3S,4S)-4-(methoxymethyl)-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is OAMPGIYYPFDUAE-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-24-12-14-10-22(17-19-6-3-7-20-17)11-15(14)16(23)21-9-13-4-2-5-18-8-13/h2-8,14-15H,9-12H2,1H3,(H,21,23)/t14-,15+/m0/s1.
What are the key properties of (3S,4S)-4-(methoxymethyl)-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
(3S,4S)-4-(methoxymethyl)-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(methoxymethyl)-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110203471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).