N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide

C20H26N6O — CID 109182962

IUPACN-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(N2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C20H26N6O/c27-19(24-16-5-2-1-3-6-16)18-8-7-17(15-23-18)25-11-13-26(14-12-25)20-21-9-4-10-22-20/h4,7-10,15-16H,1-3,5-6,11-14H2,(H,24,27)
InChIKeyDGSISBGZFPQTCL-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.26
Rot. Bonds4

About N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide

N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109182962) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109182962
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(N2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C20H26N6O/c27-19(24-16-5-2-1-3-6-16)18-8-7-17(15-23-18)25-11-13-26(14-12-25)20-21-9-4-10-22-20/h4,7-10,15-16H,1-3,5-6,11-14H2,(H,24,27)
InChIKeyDGSISBGZFPQTCL-UHFFFAOYSA-N
XLogP2.26
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109182978
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109182203
N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109274695
5-(4-benzylpiperazin-1-yl)-N-cyclopentylpyridine-2-carboxamide
CID 109182201
N-cyclohexyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109182975
N-cyclopropyl-5-morpholin-4-ylpyridine-2-carboxamide
CID 109179845
[5-(azepan-1-yl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194519
N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249567
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109188874
N-cyclopentyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]benzamide
CID 42278079
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide (CID 109182962) is N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide is O=C(NC1CCCCC1)c1ccc(N2CCN(c3ncccn3)CC2)cn1.
What is the InChIKey of N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is DGSISBGZFPQTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c27-19(24-16-5-2-1-3-6-16)18-8-7-17(15-23-18)25-11-13-26(14-12-25)20-21-9-4-10-22-20/h4,7-10,15-16H,1-3,5-6,11-14H2,(H,24,27).
What are the key properties of N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109182962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).