N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide

C27H25N5O2 — CID 55647098

IUPACN-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C27H25N5O2/c33-25(31-14-16-32(17-15-31)27-28-12-3-13-29-27)18-20-6-10-24(11-7-20)30-26(34)23-9-8-21-4-1-2-5-22(21)19-23/h1-13,19H,14-18H2,(H,30,34)
InChIKeyBNNKCNPJMNKXNP-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.77
Rot. Bonds5

About N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide

N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide (PubChem CID 55647098) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide
PubChem CID55647098
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC NameN-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C27H25N5O2/c33-25(31-14-16-32(17-15-31)27-28-12-3-13-29-27)18-20-6-10-24(11-7-20)30-26(34)23-9-8-21-4-1-2-5-22(21)19-23/h1-13,19H,14-18H2,(H,30,34)
InChIKeyBNNKCNPJMNKXNP-UHFFFAOYSA-N
XLogP3.77
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]indole-2-carboxamide
CID 55873164
methyl 5-[[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]carbamoyl]thiophene-2-carboxylate
CID 55647068
3-(4-methoxyphenyl)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]propanamide
CID 55647017
6-(dimethylamino)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridazine-3-carboxamide
CID 56511736
2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5163593
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
2-(4-ethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17249493
2-[2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-4-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid
CID 59514520
2-(4-methoxyphenyl)sulfanyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]propanamide
CID 55873034
2-(4-tert-butylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110766851
(E)-3-(1,3-benzothiazol-2-yl)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]prop-2-enamide
CID 55672885
3-(2-fluorophenyl)sulfanyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]propanamide
CID 55672835

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide (CID 55647098) is N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide is O=C(Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide?
The InChIKey is BNNKCNPJMNKXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c33-25(31-14-16-32(17-15-31)27-28-12-3-13-29-27)18-20-6-10-24(11-7-20)30-26(34)23-9-8-21-4-1-2-5-22(21)19-23/h1-13,19H,14-18H2,(H,30,34).
What are the key properties of N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide?
N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55647098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).