N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide

C22H25N5O — CID 31413320

IUPACN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
SMILESO=C(NCCCN1CCN(c2ncccn2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C22H25N5O/c28-21(20-8-7-18-5-1-2-6-19(18)17-20)23-11-4-12-26-13-15-27(16-14-26)22-24-9-3-10-25-22/h1-3,5-10,17H,4,11-16H2,(H,23,28)
InChIKeyWEYYPWUCKMNCQB-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.57
Rot. Bonds6

About N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide

N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide (PubChem CID 31413320) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
PubChem CID31413320
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
SMILESO=C(NCCCN1CCN(c2ncccn2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C22H25N5O/c28-21(20-8-7-18-5-1-2-6-19(18)17-20)23-11-4-12-26-13-15-27(16-14-26)22-24-9-3-10-25-22/h1-3,5-10,17H,4,11-16H2,(H,23,28)
InChIKeyWEYYPWUCKMNCQB-UHFFFAOYSA-N
XLogP2.57
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 119901319
4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539439
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-1-carboxamide
CID 31413484
methyl 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]benzoate
CID 55824435
3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539519
3-(methoxymethyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39540479
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 39541337
2-(2-methylphenyl)-1,3-dioxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]isoindole-5-carboxamide
CID 39540741
N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 42099780
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-indazole-7-carboxamide
CID 39541539

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide (CID 31413320) is N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide is O=C(NCCCN1CCN(c2ncccn2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide?
The InChIKey is WEYYPWUCKMNCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c28-21(20-8-7-18-5-1-2-6-19(18)17-20)23-11-4-12-26-13-15-27(16-14-26)22-24-9-3-10-25-22/h1-3,5-10,17H,4,11-16H2,(H,23,28).
What are the key properties of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide?
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide is sourced from PubChem (CID 31413320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).