4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide

C22H22N6O3 — CID 170855567

IUPAC4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cnccn4)CC3)nc2)cc1
InChIInChI=1S/C22H22N6O3/c1-31-18-5-2-16(3-6-18)21(29)26-17-4-7-20(25-14-17)27-10-12-28(13-11-27)22(30)19-15-23-8-9-24-19/h2-9,14-15H,10-13H2,1H3,(H,26,29)
InChIKeyBUJHNZIMNDEAJB-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.09
Rot. Bonds5

About 4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide

4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide (PubChem CID 170855567) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide
PubChem CID170855567
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cnccn4)CC3)nc2)cc1
InChIInChI=1S/C22H22N6O3/c1-31-18-5-2-16(3-6-18)21(29)26-17-4-7-20(25-14-17)27-10-12-28(13-11-27)22(30)19-15-23-8-9-24-19/h2-9,14-15H,10-13H2,1H3,(H,26,29)
InChIKeyBUJHNZIMNDEAJB-UHFFFAOYSA-N
XLogP2.09
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014232
N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041970
4-methoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821265
N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041984
N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
CID 46053044
1-[6-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylurea
CID 83285222
4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850230
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
3,5-dimethoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 17461264
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 42857527
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide (CID 170855567) is 4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide is COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cnccn4)CC3)nc2)cc1.
What is the InChIKey of 4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is BUJHNZIMNDEAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-31-18-5-2-16(3-6-18)21(29)26-17-4-7-20(25-14-17)27-10-12-28(13-11-27)22(30)19-15-23-8-9-24-19/h2-9,14-15H,10-13H2,1H3,(H,26,29).
What are the key properties of 4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide?
4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 418.46 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 170855567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).