N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide

C19H24ClN5O — CID 109296562

IUPACN-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C19H24ClN5O/c1-2-3-8-21-18(26)17-7-9-22-19(23-17)25-12-10-24(11-13-25)16-6-4-5-15(20)14-16/h4-7,9,14H,2-3,8,10-13H2,1H3,(H,21,26)
InChIKeyKKUDOCQXEBXKKM-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.99
Rot. Bonds6

About N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide

N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide (PubChem CID 109296562) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
PubChem CID109296562
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC NameN-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C19H24ClN5O/c1-2-3-8-21-18(26)17-7-9-22-19(23-17)25-12-10-24(11-13-25)16-6-4-5-15(20)14-16/h4-7,9,14H,2-3,8,10-13H2,1H3,(H,21,26)
InChIKeyKKUDOCQXEBXKKM-UHFFFAOYSA-N
XLogP2.99
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.99
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

N-(3-methoxypropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109300202
2-(4-benzylpiperazin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109309418
2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109299018
N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109299826
N-pentyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310482
N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112898403
N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310342
4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide
CID 109217503
N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297331
N-(4-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310350
2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide
CID 109310347
N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301579

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide (CID 109296562) is N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide is CCCCNC(=O)c1ccnc(N2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is KKUDOCQXEBXKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c1-2-3-8-21-18(26)17-7-9-22-19(23-17)25-12-10-24(11-13-25)16-6-4-5-15(20)14-16/h4-7,9,14H,2-3,8,10-13H2,1H3,(H,21,26).
What are the key properties of N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 373.89 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109296562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).