2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide

C19H22ClN5O2 — CID 46037111

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide
SMILESCOc1nc(N2CCN(c3cccc(Cl)c3)CC2)ncc1C(=O)NC1CC1
InChIInChI=1S/C19H22ClN5O2/c1-27-18-16(17(26)22-14-5-6-14)12-21-19(23-18)25-9-7-24(8-10-25)15-4-2-3-13(20)11-15/h2-4,11-12,14H,5-10H2,1H3,(H,22,26)
InChIKeyLVDSMSSPNXPKJQ-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.36
Rot. Bonds5

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide (PubChem CID 46037111) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide
PubChem CID46037111
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide
SMILESCOc1nc(N2CCN(c3cccc(Cl)c3)CC2)ncc1C(=O)NC1CC1
InChIInChI=1S/C19H22ClN5O2/c1-27-18-16(17(26)22-14-5-6-14)12-21-19(23-18)25-9-7-24(8-10-25)15-4-2-3-13(20)11-15/h2-4,11-12,14H,5-10H2,1H3,(H,22,26)
InChIKeyLVDSMSSPNXPKJQ-UHFFFAOYSA-N
XLogP2.36
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-4-methoxy-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 42847751
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341438
2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide
CID 46037159
[4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20959527
1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea
CID 113014392
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide
CID 42690921
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
4-amino-5-chloro-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methoxybenzamide
CID 119899547
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175649555
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505785
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine
CID 112939151
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine
CID 112909661

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide (CID 46037111) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide is COc1nc(N2CCN(c3cccc(Cl)c3)CC2)ncc1C(=O)NC1CC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide?
The InChIKey is LVDSMSSPNXPKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-27-18-16(17(26)22-14-5-6-14)12-21-19(23-18)25-9-7-24(8-10-25)15-4-2-3-13(20)11-15/h2-4,11-12,14H,5-10H2,1H3,(H,22,26).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 46037111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).