N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide

C22H22N4O3 — CID 46041971

IUPACN-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)nc2)cc1
InChIInChI=1S/C22H22N4O3/c1-16-4-6-17(7-5-16)21(27)24-18-8-9-20(23-15-18)25-10-12-26(13-11-25)22(28)19-3-2-14-29-19/h2-9,14-15H,10-13H2,1H3,(H,24,27)
InChIKeyYEQQWGCNINRHFT-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.20
Rot. Bonds4

About N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide

N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide (PubChem CID 46041971) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
PubChem CID46041971
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)nc2)cc1
InChIInChI=1S/C22H22N4O3/c1-16-4-6-17(7-5-16)21(27)24-18-8-9-20(23-15-18)25-10-12-26(13-11-25)22(28)19-3-2-14-29-19/h2-9,14-15H,10-13H2,1H3,(H,24,27)
InChIKeyYEQQWGCNINRHFT-UHFFFAOYSA-N
XLogP3.20
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 46157200
N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041978
N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041984
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 46157166
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide
CID 113014461
N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 42856931
furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 7178192
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151899
N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 30266978
[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153468
N-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 113014476

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide (CID 46041971) is N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)nc2)cc1.
What is the InChIKey of N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide?
The InChIKey is YEQQWGCNINRHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-16-4-6-17(7-5-16)21(27)24-18-8-9-20(23-15-18)25-10-12-26(13-11-25)22(28)19-3-2-14-29-19/h2-9,14-15H,10-13H2,1H3,(H,24,27).
What are the key properties of N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide?
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide has a molecular weight of 390.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 46041971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).