N-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide

C17H22N4O2 — CID 136773410

IUPACN-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide
SMILESCC[C@H](C)NC(=O)CCc1c(C)nc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C17H22N4O2/c1-4-11(2)19-15(22)6-5-14-12(3)20-16(21-17(14)23)13-7-9-18-10-8-13/h7-11H,4-6H2,1-3H3,(H,19,22)(H,20,21,23)/t11-/m0/s1
InChIKeyPVKNGJDVBGNTDB-NSHDSACASA-N
MW314.39 g/mol
LogP1.99
Rot. Bonds6

About N-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide

N-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide (PubChem CID 136773410) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide
PubChem CID136773410
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide
SMILESCC[C@H](C)NC(=O)CCc1c(C)nc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C17H22N4O2/c1-4-11(2)19-15(22)6-5-14-12(3)20-16(21-17(14)23)13-7-9-18-10-8-13/h7-11H,4-6H2,1-3H3,(H,19,22)(H,20,21,23)/t11-/m0/s1
InChIKeyPVKNGJDVBGNTDB-NSHDSACASA-N
XLogP1.99
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide with MolForge

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Launch Full Analysis

Related Compounds

3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-methylsulfonylpropanamide
CID 146154481
3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[(3R)-2-methylpentan-3-yl]propanamide
CID 136877410
(2R)-3-methyl-2-[3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanoylamino]butanoic acid
CID 136942120
N-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide
CID 136579963
(2S)-4-methyl-2-[3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid
CID 137010270
N-[(2R)-butan-2-yl]-3-[3-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 136836997
4-methyl-5-[3-[2-(2-methylpropyl)azepan-1-yl]-3-oxopropyl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136527439
N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide
CID 167945291
4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136532660
N-(5-methylhexan-2-yl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137296546
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 135954015
N-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide
CID 135983224

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide (CID 136773410) is N-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide is CC[C@H](C)NC(=O)CCc1c(C)nc(-c2ccncc2)[nH]c1=O.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide?
The InChIKey is PVKNGJDVBGNTDB-NSHDSACASA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-11(2)19-15(22)6-5-14-12(3)20-16(21-17(14)23)13-7-9-18-10-8-13/h7-11H,4-6H2,1-3H3,(H,19,22)(H,20,21,23)/t11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide?
N-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 136773410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).