N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide

C24H27N5O4 — CID 1031541

IUPACN-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)CCN(Cc2ccco2)C(=O)c2cnccn2)CC1
InChIInChI=1S/C24H27N5O4/c1-32-22-7-3-2-6-21(22)27-12-14-28(15-13-27)23(30)8-11-29(18-19-5-4-16-33-19)24(31)20-17-25-9-10-26-20/h2-7,9-10,16-17H,8,11-15,18H2,1H3
InChIKeyNVWZABIMOVPDTI-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.46
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide

N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide (PubChem CID 1031541) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
PubChem CID1031541
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC NameN-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)CCN(Cc2ccco2)C(=O)c2cnccn2)CC1
InChIInChI=1S/C24H27N5O4/c1-32-22-7-3-2-6-21(22)27-12-14-28(15-13-27)23(30)8-11-29(18-19-5-4-16-33-19)24(31)20-17-25-9-10-26-20/h2-7,9-10,16-17H,8,11-15,18H2,1H3
InChIKeyNVWZABIMOVPDTI-UHFFFAOYSA-N
XLogP2.46
TPSA92.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 1030450
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 1026321
N-(furan-2-ylmethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113161025
2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110690646
N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide
CID 3980124
N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 3277023
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 4253080
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 42783180
N-[(4-fluorophenyl)methyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
CID 42783239
N-(3-ethoxypropyl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
CID 42783381
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 78781102
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 1030452

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide (CID 1031541) is N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide is COc1ccccc1N1CCN(C(=O)CCN(Cc2ccco2)C(=O)c2cnccn2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide?
The InChIKey is NVWZABIMOVPDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-32-22-7-3-2-6-21(22)27-12-14-28(15-13-27)23(30)8-11-29(18-19-5-4-16-33-19)24(31)20-17-25-9-10-26-20/h2-7,9-10,16-17H,8,11-15,18H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide?
N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 2.46, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 1031541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).