N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide

C16H24N4O — CID 122564823

IUPACN-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide
SMILESO=C(NCC1CCN(C2CCCCC2)C1)c1cncnc1
InChIInChI=1S/C16H24N4O/c21-16(14-9-17-12-18-10-14)19-8-13-6-7-20(11-13)15-4-2-1-3-5-15/h9-10,12-13,15H,1-8,11H2,(H,19,21)
InChIKeyZTOGTOAONGJPLI-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.86
Rot. Bonds4

About N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide

N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 122564823) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide
PubChem CID122564823
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide
SMILESO=C(NCC1CCN(C2CCCCC2)C1)c1cncnc1
InChIInChI=1S/C16H24N4O/c21-16(14-9-17-12-18-10-14)19-8-13-6-7-20(11-13)15-4-2-1-3-5-15/h9-10,12-13,15H,1-8,11H2,(H,19,21)
InChIKeyZTOGTOAONGJPLI-UHFFFAOYSA-N
XLogP1.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-hydroxypyridine-3-carboxamide
CID 124553912
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide
CID 125439680
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 118765014
N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 125137746
6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61052814
N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 118783160
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide
CID 125162133
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 78870756
3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 125157238
2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide
CID 125155884
N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3,5-dimethylimidazole-4-carboxamide
CID 125446440
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 77087273

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide (CID 122564823) is N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide is O=C(NCC1CCN(C2CCCCC2)C1)c1cncnc1.
What is the InChIKey of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is ZTOGTOAONGJPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-16(14-9-17-12-18-10-14)19-8-13-6-7-20(11-13)15-4-2-1-3-5-15/h9-10,12-13,15H,1-8,11H2,(H,19,21).
What are the key properties of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide?
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 122564823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).