2-cyclohexyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide

C19H28N4O2 — CID 136559544

IUPAC2-cyclohexyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
SMILESCc1cc(=O)[nH]c(N2CCC(NC(=O)C3CC3C3CCCCC3)C2)n1
InChIInChI=1S/C19H28N4O2/c1-12-9-17(24)22-19(20-12)23-8-7-14(11-23)21-18(25)16-10-15(16)13-5-3-2-4-6-13/h9,13-16H,2-8,10-11H2,1H3,(H,21,25)(H,20,22,24)
InChIKeySIHKBULYBDUCDB-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.99
Rot. Bonds4

About 2-cyclohexyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide

2-cyclohexyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 136559544) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-cyclohexyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
PubChem CID136559544
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-cyclohexyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
SMILESCc1cc(=O)[nH]c(N2CCC(NC(=O)C3CC3C3CCCCC3)C2)n1
InChIInChI=1S/C19H28N4O2/c1-12-9-17(24)22-19(20-12)23-8-7-14(11-23)21-18(25)16-10-15(16)13-5-3-2-4-6-13/h9,13-16H,2-8,10-11H2,1H3,(H,21,25)(H,20,22,24)
InChIKeySIHKBULYBDUCDB-UHFFFAOYSA-N
XLogP1.99
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 136559547
1-(2-methoxyethyl)-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 164633020
3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
CID 136962389
2-(3-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 136666195
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyridine-2-carboxamide
CID 136662620
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137058231
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-3-[4-(2H-tetrazol-5-yl)anilino]benzamide
CID 167771011
6-[[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 136560083
3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide
CID 136962376
3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide
CID 136662623
7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 136666518
2-(2-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
CID 136666562

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (CID 136559544) is 2-cyclohexyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide is Cc1cc(=O)[nH]c(N2CCC(NC(=O)C3CC3C3CCCCC3)C2)n1.
What is the InChIKey of 2-cyclohexyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is SIHKBULYBDUCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-12-9-17(24)22-19(20-12)23-8-7-14(11-23)21-18(25)16-10-15(16)13-5-3-2-4-6-13/h9,13-16H,2-8,10-11H2,1H3,(H,21,25)(H,20,22,24).
What are the key properties of 2-cyclohexyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
2-cyclohexyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 136559544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).