(2S)-N-[[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-ylacetamide

C23H26N6O — CID 92610446

IUPAC(2S)-N-[[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
SMILESCNc1cc(CNC(=O)[C@H](c2ccccc2)N2CCCC2)nc(-c2cccnc2)n1
InChIInChI=1S/C23H26N6O/c1-24-20-14-19(27-22(28-20)18-10-7-11-25-15-18)16-26-23(30)21(29-12-5-6-13-29)17-8-3-2-4-9-17/h2-4,7-11,14-15,21H,5-6,12-13,16H2,1H3,(H,26,30)(H,24,27,28)/t21-/m0/s1
InChIKeyRDZYYOIHCMWBGG-NRFANRHFSA-N
MW402.50 g/mol
LogP3.03
Rot. Bonds7

About (2S)-N-[[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-ylacetamide

(2S)-N-[[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-ylacetamide (PubChem CID 92610446) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is (2S)-N-[[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name(2S)-N-[[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
PubChem CID92610446
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name(2S)-N-[[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
SMILESCNc1cc(CNC(=O)[C@H](c2ccccc2)N2CCCC2)nc(-c2cccnc2)n1
InChIInChI=1S/C23H26N6O/c1-24-20-14-19(27-22(28-20)18-10-7-11-25-15-18)16-26-23(30)21(29-12-5-6-13-29)17-8-3-2-4-9-17/h2-4,7-11,14-15,21H,5-6,12-13,16H2,1H3,(H,26,30)(H,24,27,28)/t21-/m0/s1
InChIKeyRDZYYOIHCMWBGG-NRFANRHFSA-N
XLogP3.03
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-ylacetamide with MolForge

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Related Compounds

N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
CID 164930531
4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid
CID 72885948
N-methyl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62191790
(2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 97198876
(2S)-2-(azepan-1-yl)-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 97218734
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 72861699
(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 52523009
N-[2-(azepan-1-yl)-2-phenylethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131893516
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 56739589
(2S)-N-methyl-2-phenyl-2-piperidin-1-ylacetamide
CID 67962694
1-[4-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 92548954
(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 136861472

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of (2S)-N-[[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-ylacetamide (CID 92610446) is (2S)-N-[[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for (2S)-N-[[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for (2S)-N-[[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-ylacetamide is CNc1cc(CNC(=O)[C@H](c2ccccc2)N2CCCC2)nc(-c2cccnc2)n1.
What is the InChIKey of (2S)-N-[[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is RDZYYOIHCMWBGG-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26N6O/c1-24-20-14-19(27-22(28-20)18-10-7-11-25-15-18)16-26-23(30)21(29-12-5-6-13-29)17-8-3-2-4-9-17/h2-4,7-11,14-15,21H,5-6,12-13,16H2,1H3,(H,26,30)(H,24,27,28)/t21-/m0/s1.
What are the key properties of (2S)-N-[[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-ylacetamide?
(2S)-N-[[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 402.50 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 92610446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).