2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide

C21H21N5O3 — CID 109310503

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(N3CCN(C(=O)c4ccco4)CC3)n2)c1
InChIInChI=1S/C21H21N5O3/c1-15-4-2-5-16(14-15)23-19(27)17-7-8-22-21(24-17)26-11-9-25(10-12-26)20(28)18-6-3-13-29-18/h2-8,13-14H,9-12H2,1H3,(H,23,27)
InChIKeyFTQZTLWZOAGWCN-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.59
Rot. Bonds4

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109310503) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109310503
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(N3CCN(C(=O)c4ccco4)CC3)n2)c1
InChIInChI=1S/C21H21N5O3/c1-15-4-2-5-16(14-15)23-19(27)17-7-8-22-21(24-17)26-11-9-25(10-12-26)20(28)18-6-3-13-29-18/h2-8,13-14H,9-12H2,1H3,(H,23,27)
InChIKeyFTQZTLWZOAGWCN-UHFFFAOYSA-N
XLogP2.59
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109295782
2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide
CID 109310347
N-(4-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310350
3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108965538
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109299007
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8932674
ethyl 4-[4-[(3-fluorophenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 109310266
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300420
furan-2-yl-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 112898734
N-(3,5-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109310548
N-(4-cyanophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310358

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide (CID 109310503) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide is Cc1cccc(NC(=O)c2ccnc(N3CCN(C(=O)c4ccco4)CC3)n2)c1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is FTQZTLWZOAGWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-15-4-2-5-16(14-15)23-19(27)17-7-8-22-21(24-17)26-11-9-25(10-12-26)20(28)18-6-3-13-29-18/h2-8,13-14H,9-12H2,1H3,(H,23,27).
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109310503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).