N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C16H24N4O3 — CID 77087273

IUPACN-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NCC1CCN(C2CCCCC2)C1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C16H24N4O3/c21-14-8-13(18-16(23)19-14)15(22)17-9-11-6-7-20(10-11)12-4-2-1-3-5-12/h8,11-12H,1-7,9-10H2,(H,17,22)(H2,18,19,21,23)
InChIKeyNWDJXVCVHBCARJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.45
Rot. Bonds4

About N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 77087273) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID77087273
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NCC1CCN(C2CCCCC2)C1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C16H24N4O3/c21-14-8-13(18-16(23)19-14)15(22)17-9-11-6-7-20(10-11)12-4-2-1-3-5-12/h8,11-12H,1-7,9-10H2,(H,17,22)(H2,18,19,21,23)
InChIKeyNWDJXVCVHBCARJ-UHFFFAOYSA-N
XLogP0.45
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide with MolForge

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Related Compounds

3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 125157238
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide
CID 125439680
N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 95208505
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 122564823
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 125155819
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 95303166
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 118765014
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 125163888
N-[[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 72870683
N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3,5-dimethylimidazole-4-carboxamide
CID 125446440
2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide
CID 125155884
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide
CID 125164756

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 77087273) is N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(NCC1CCN(C2CCCCC2)C1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is NWDJXVCVHBCARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c21-14-8-13(18-16(23)19-14)15(22)17-9-11-6-7-20(10-11)12-4-2-1-3-5-12/h8,11-12H,1-7,9-10H2,(H,17,22)(H2,18,19,21,23).
What are the key properties of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 77087273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).