1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide

C26H30ClN5O2 — CID 44576659

IUPAC1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
SMILESCCNC1(C(N)=O)CCN(c2cnc(-c3ccc(OCC)cc3)c(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C26H30ClN5O2/c1-3-30-26(25(28)33)13-15-32(16-14-26)22-17-29-23(18-9-11-19(12-10-18)34-4-2)24(31-22)20-7-5-6-8-21(20)27/h5-12,17,30H,3-4,13-16H2,1-2H3,(H2,28,33)
InChIKeyUAJXPPBANFJHRP-UHFFFAOYSA-N
MW480.01 g/mol
LogP4.30
Rot. Bonds8

About 1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide

1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide (PubChem CID 44576659) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is 1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
PubChem CID44576659
Molecular FormulaC26H30ClN5O2
Molecular Weight480.01 g/mol
Exact Mass479.21
IUPAC Name1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
SMILESCCNC1(C(N)=O)CCN(c2cnc(-c3ccc(OCC)cc3)c(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C26H30ClN5O2/c1-3-30-26(25(28)33)13-15-32(16-14-26)22-17-29-23(18-9-11-19(12-10-18)34-4-2)24(31-22)20-7-5-6-8-21(20)27/h5-12,17,30H,3-4,13-16H2,1-2H3,(H2,28,33)
InChIKeyUAJXPPBANFJHRP-UHFFFAOYSA-N
XLogP4.30
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-((2-(2-chlorophenyl)-5-(4-(pyridin-2-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine
CID 46884524
Pyrazine-Pyridine Biheteroaryl 48
CID 5330376
(R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-(4-(3-((2-(4-methoxyphenyl)acetamido)methyl)pyridin-2-yl)piperazin-1-yl)-1-oxopropan-2-yl)propanamide
CID 44412681
4-[[Amino-[[2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]acetyl]amino]methylidene]amino]butanamide
CID 44455500
3-[[Amino-[[2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]acetyl]amino]methylidene]amino]propanamide
CID 44455530
2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-(3-imidazol-1-ylpropyl)carbamimidoyl]acetamide
CID 44455882
1-(5,6-Bis(4-ethoxyphenyl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576660
(S)-2-((4-chloro-6-(4-(4-fluorophenoxy)phenyl)pyridin-2-yl)amino)propanamide
CID 57405904
6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyrimidine-4-carboxamide
CID 71290096
1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 89735840
4-[[4-[[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-3-ethylpiperazin-2-one
CID 45166477
2-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 90370590

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide (CID 44576659) is 1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide is CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(OCC)cc3)c(-c3ccccc3Cl)n2)CC1.
What is the InChIKey of 1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The InChIKey is UAJXPPBANFJHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c1-3-30-26(25(28)33)13-15-32(16-14-26)22-17-29-23(18-9-11-19(12-10-18)34-4-2)24(31-22)20-7-5-6-8-21(20)27/h5-12,17,30H,3-4,13-16H2,1-2H3,(H2,28,33).
What are the key properties of 1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide has a molecular weight of 480.01 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide is sourced from PubChem (CID 44576659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).