2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide

C22H23Cl2N5O3 — CID 42847808

IUPAC2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide
SMILESCOc1nc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)ncc1C(=O)NCc1ccco1
InChIInChI=1S/C22H23Cl2N5O3/c1-31-21-16(20(30)25-12-15-4-3-11-32-15)13-26-22(27-21)29-9-7-28(8-10-29)14-17-18(23)5-2-6-19(17)24/h2-6,11,13H,7-10,12,14H2,1H3,(H,25,30)
InChIKeyYGKDMJBNJFFNES-UHFFFAOYSA-N
MW476.36 g/mol
LogP3.64
Rot. Bonds7

About 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide

2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide (PubChem CID 42847808) has the molecular formula C22H23Cl2N5O3 and a molecular weight of 476.36 g/mol. Its IUPAC name is 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide
PubChem CID42847808
Molecular FormulaC22H23Cl2N5O3
Molecular Weight476.36 g/mol
Exact Mass475.12
IUPAC Name2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide
SMILESCOc1nc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)ncc1C(=O)NCc1ccco1
InChIInChI=1S/C22H23Cl2N5O3/c1-31-21-16(20(30)25-12-15-4-3-11-32-15)13-26-22(27-21)29-9-7-28(8-10-29)14-17-18(23)5-2-6-19(17)24/h2-6,11,13H,7-10,12,14H2,1H3,(H,25,30)
InChIKeyYGKDMJBNJFFNES-UHFFFAOYSA-N
XLogP3.64
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-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

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide
CID 42847745
N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254918
N-(furan-2-ylmethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959394
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide
CID 46037111
4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 42847731
N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 46055949
2-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2082030
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959722
5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921720
N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574054
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254907
1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide
CID 106765838

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide?
The IUPAC name of 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide (CID 42847808) is 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide is COc1nc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)ncc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide?
The InChIKey is YGKDMJBNJFFNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O3/c1-31-21-16(20(30)25-12-15-4-3-11-32-15)13-26-22(27-21)29-9-7-28(8-10-29)14-17-18(23)5-2-6-19(17)24/h2-6,11,13H,7-10,12,14H2,1H3,(H,25,30).
What are the key properties of 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide?
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide has a molecular weight of 476.36 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 42847808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).