N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide

C24H22N6O — CID 71790052

IUPACN-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)c1cccc2ccccc12
InChIInChI=1S/C24H22N6O/c31-23(21-9-5-7-18-6-1-2-8-20(18)21)28-19-16-26-24(27-17-19)30-14-12-29(13-15-30)22-10-3-4-11-25-22/h1-11,16-17H,12-15H2,(H,28,31)
InChIKeyBPZMCZZKMIBWEP-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.60
Rot. Bonds4

About N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide

N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide (PubChem CID 71790052) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide
PubChem CID71790052
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC NameN-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)c1cccc2ccccc12
InChIInChI=1S/C24H22N6O/c31-23(21-9-5-7-18-6-1-2-8-20(18)21)28-19-16-26-24(27-17-19)30-14-12-29(13-15-30)22-10-3-4-11-25-22/h1-11,16-17H,12-15H2,(H,28,31)
InChIKeyBPZMCZZKMIBWEP-UHFFFAOYSA-N
XLogP3.60
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122300077
2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112875
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112848
4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112852
8-methoxy-2-oxo-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]chromene-3-carboxamide
CID 122299980
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 121112867
3,4,5-trimethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112859
3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide
CID 122300115
1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
CID 122300047
1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 121112892
3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122300042
N-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide
CID 122298631

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide (CID 71790052) is N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide is O=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)c1cccc2ccccc12.
What is the InChIKey of N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide?
The InChIKey is BPZMCZZKMIBWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c31-23(21-9-5-7-18-6-1-2-8-20(18)21)28-19-16-26-24(27-17-19)30-14-12-29(13-15-30)22-10-3-4-11-25-22/h1-11,16-17H,12-15H2,(H,28,31).
What are the key properties of N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide?
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 71790052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).