N-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide

C19H23N5O2 — CID 110095709

IUPACN-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc(C)nc1C1CCCN1C(=O)c1ncccc1C
InChIInChI=1S/C19H23N5O2/c1-12-6-4-8-20-17(12)19(26)24-9-5-7-16(24)18-15(11-22-14(3)25)10-21-13(2)23-18/h4,6,8,10,16H,5,7,9,11H2,1-3H3,(H,22,25)
InChIKeyUGDOSEXBJPBGDD-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.10
Rot. Bonds4

About N-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide

N-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide (PubChem CID 110095709) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
PubChem CID110095709
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc(C)nc1C1CCCN1C(=O)c1ncccc1C
InChIInChI=1S/C19H23N5O2/c1-12-6-4-8-20-17(12)19(26)24-9-5-7-16(24)18-15(11-22-14(3)25)10-21-13(2)23-18/h4,6,8,10,16H,5,7,9,11H2,1-3H3,(H,22,25)
InChIKeyUGDOSEXBJPBGDD-UHFFFAOYSA-N
XLogP2.10
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124985573
N-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide
CID 124956996
N-[[2-methyl-4-[(2R)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124997828
N-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide
CID 110116834
N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 110117382
N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 110119109
1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 175662611
(3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 124953337
[(2S)-2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124957607
4-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-2-yl]-N-benzyl-2-methylpyrimidine-5-carboxamide
CID 110085093
1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539024
N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide
CID 124976141

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide (CID 110095709) is N-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide is CC(=O)NCc1cnc(C)nc1C1CCCN1C(=O)c1ncccc1C.
What is the InChIKey of N-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide?
The InChIKey is UGDOSEXBJPBGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-6-4-8-20-17(12)19(26)24-9-5-7-16(24)18-15(11-22-14(3)25)10-21-13(2)23-18/h4,6,8,10,16H,5,7,9,11H2,1-3H3,(H,22,25).
What are the key properties of N-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide?
N-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide has a molecular weight of 353.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide is sourced from PubChem (CID 110095709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).