N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide

C17H23N5O2 — CID 166481322

IUPACN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)c2nccc(-n3ccnc3)n2)CC1
InChIInChI=1S/C17H23N5O2/c1-17(2,24)12-3-5-13(6-4-12)20-16(23)15-19-8-7-14(21-15)22-10-9-18-11-22/h7-13,24H,3-6H2,1-2H3,(H,20,23)
InChIKeyMSKMLICXQJDUDC-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.72
Rot. Bonds4

About N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide

N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide (PubChem CID 166481322) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
PubChem CID166481322
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)c2nccc(-n3ccnc3)n2)CC1
InChIInChI=1S/C17H23N5O2/c1-17(2,24)12-3-5-13(6-4-12)20-16(23)15-19-8-7-14(21-15)22-10-9-18-11-22/h7-13,24H,3-6H2,1-2H3,(H,20,23)
InChIKeyMSKMLICXQJDUDC-UHFFFAOYSA-N
XLogP1.72
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol
CID 166480997
N-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
CID 166481422
tert-butyl 4-[(6-imidazol-1-ylpyridine-2-carbonyl)amino]piperidine-1-carboxylate
CID 166481495
N-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen
CID 166480957
6-imidazol-1-yl-N-(3-methoxycyclopentyl)pyridine-2-carboxamide
CID 166481672
N-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 166481590
N-cyclohexyl-6-imidazol-1-ylpyridine-2-carboxamide;2-methoxyethanol;molecular hydrogen
CID 156885840
2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
CID 156885753
1-cyclohexyl-3-[2-(6-imidazol-1-yl-2-pyridinyl)ethyl]urea
CID 70887053
2-imidazol-1-yl-N-[4-(2-methoxypropan-2-yl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786376
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(1-methylpyrrolo[3,2-c]pyridin-4-yl)benzamide
CID 162519496
2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
CID 156885976

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide?
The IUPAC name of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide (CID 166481322) is N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide?
The canonical SMILES for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide is CC(C)(O)C1CCC(NC(=O)c2nccc(-n3ccnc3)n2)CC1.
What is the InChIKey of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide?
The InChIKey is MSKMLICXQJDUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-17(2,24)12-3-5-13(6-4-12)20-16(23)15-19-8-7-14(21-15)22-10-9-18-11-22/h7-13,24H,3-6H2,1-2H3,(H,20,23).
What are the key properties of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide?
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide is sourced from PubChem (CID 166481322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).