N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]oxolane-2-carboxamide

C22H28N4O2 — CID 110216371

IUPACN-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]oxolane-2-carboxamide
SMILESCc1ncc(-c2ccccn2)c(C2CCC(CNC(=O)C3CCCO3)CC2)n1
InChIInChI=1S/C22H28N4O2/c1-15-24-14-18(19-5-2-3-11-23-19)21(26-15)17-9-7-16(8-10-17)13-25-22(27)20-6-4-12-28-20/h2-3,5,11,14,16-17,20H,4,6-10,12-13H2,1H3,(H,25,27)
InChIKeyDSMGGBBVQXBAQB-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.42
Rot. Bonds5

About N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]oxolane-2-carboxamide

N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]oxolane-2-carboxamide (PubChem CID 110216371) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]oxolane-2-carboxamide
PubChem CID110216371
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]oxolane-2-carboxamide
SMILESCc1ncc(-c2ccccn2)c(C2CCC(CNC(=O)C3CCCO3)CC2)n1
InChIInChI=1S/C22H28N4O2/c1-15-24-14-18(19-5-2-3-11-23-19)21(26-15)17-9-7-16(8-10-17)13-25-22(27)20-6-4-12-28-20/h2-3,5,11,14,16-17,20H,4,6-10,12-13H2,1H3,(H,25,27)
InChIKeyDSMGGBBVQXBAQB-UHFFFAOYSA-N
XLogP3.42
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]oxolane-2-carboxamide
CID 110217350
N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide
CID 98063822
N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 110217352
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide
CID 108748806
2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide
CID 98133547
N,N-diethyl-4-[4-[(oxolane-2-carbonylamino)methyl]cyclohexyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 110222877
N,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide
CID 98073085
(2S)-N-[[4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]cyclohexyl]methyl]-2-phenylpropanamide
CID 98134669
3-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide
CID 98133554
N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-phenylpropanamide
CID 110238871
(2S)-2-(2-fluorophenoxy)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide
CID 98132255
2-cyclohexyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide
CID 98134399

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]oxolane-2-carboxamide (CID 110216371) is N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]oxolane-2-carboxamide is Cc1ncc(-c2ccccn2)c(C2CCC(CNC(=O)C3CCCO3)CC2)n1.
What is the InChIKey of N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]oxolane-2-carboxamide?
The InChIKey is DSMGGBBVQXBAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-15-24-14-18(19-5-2-3-11-23-19)21(26-15)17-9-7-16(8-10-17)13-25-22(27)20-6-4-12-28-20/h2-3,5,11,14,16-17,20H,4,6-10,12-13H2,1H3,(H,25,27).
What are the key properties of N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]oxolane-2-carboxamide?
N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]oxolane-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 110216371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).