N-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide

C16H18N4O2 — CID 135983224

IUPACN-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)NCC1CC1
InChIInChI=1S/C16H18N4O2/c1-10-13(8-14(21)18-9-11-2-3-11)16(22)20-15(19-10)12-4-6-17-7-5-12/h4-7,11H,2-3,8-9H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyRCAKIBQZXISBOD-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.21
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide

N-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide (PubChem CID 135983224) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide
PubChem CID135983224
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)NCC1CC1
InChIInChI=1S/C16H18N4O2/c1-10-13(8-14(21)18-9-11-2-3-11)16(22)20-15(19-10)12-4-6-17-7-5-12/h4-7,11H,2-3,8-9H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyRCAKIBQZXISBOD-UHFFFAOYSA-N
XLogP1.21
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide
CID 136712335
2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-(2-methylpiperidin-3-yl)acetamide
CID 137159316
2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide
CID 136793208
N-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide
CID 136579963
1-[2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 137010231
3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-methylsulfonylpropanamide
CID 146154481
4-methyl-5-[2-oxo-2-(4-thiophen-3-ylpiperidin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136533215
5-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137079245
5-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137091980
2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)acetamide;dihydrochloride
CID 137086212
2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 136727792
N-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide
CID 136773410

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide (CID 135983224) is N-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide is Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide?
The InChIKey is RCAKIBQZXISBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-13(8-14(21)18-9-11-2-3-11)16(22)20-15(19-10)12-4-6-17-7-5-12/h4-7,11H,2-3,8-9H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of N-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide?
N-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide has a molecular weight of 298.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 135983224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).