3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide

C15H18N4O3 — CID 35355755

IUPAC3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)c1cccnc1
InChIInChI=1S/C15H18N4O3/c1-9(11-4-3-7-16-8-11)17-13(20)6-5-12-10(2)18-15(22)19-14(12)21/h3-4,7-9H,5-6H2,1-2H3,(H,17,20)(H2,18,19,21,22)/t9-/m1/s1
InChIKeyADWMQKCUQFWVCU-SECBINFHSA-N
MW302.33 g/mol
LogP0.58
Rot. Bonds5

About 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide

3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide (PubChem CID 35355755) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide.

Molecular Properties

Compound Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
PubChem CID35355755
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)c1cccnc1
InChIInChI=1S/C15H18N4O3/c1-9(11-4-3-7-16-8-11)17-13(20)6-5-12-10(2)18-15(22)19-14(12)21/h3-4,7-9H,5-6H2,1-2H3,(H,17,20)(H2,18,19,21,22)/t9-/m1/s1
InChIKeyADWMQKCUQFWVCU-SECBINFHSA-N
XLogP0.58
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide with MolForge

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Related Compounds

2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 51894147
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N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide
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3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 94172680
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide
CID 47062727
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 135954015
3-(3-chloro-4-methylphenyl)-N-(1-pyridin-3-ylethyl)propanamide
CID 24642247
3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 30537602
3-(2-methylpropylsulfonyl)-N-(1-pyridin-3-ylethyl)propanamide
CID 51085822
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide
CID 52511202

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide?
The IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide (CID 35355755) is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide.
What is the SMILES notation for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide?
The canonical SMILES for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)c1cccnc1.
What is the InChIKey of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide?
The InChIKey is ADWMQKCUQFWVCU-SECBINFHSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9(11-4-3-7-16-8-11)17-13(20)6-5-12-10(2)18-15(22)19-14(12)21/h3-4,7-9H,5-6H2,1-2H3,(H,17,20)(H2,18,19,21,22)/t9-/m1/s1.
What are the key properties of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide?
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide has a molecular weight of 302.33 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide is sourced from PubChem (CID 35355755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).