N-ethyl-1-(pyrazine-2-carbonyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide

C25H27N5O2 — CID 110083881

IUPACN-ethyl-1-(pyrazine-2-carbonyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C25H27N5O2/c1-2-28-24(32)25(8-14-30(15-9-25)23(31)22-18-27-12-13-29-22)17-19-4-3-5-21(16-19)20-6-10-26-11-7-20/h3-7,10-13,16,18H,2,8-9,14-15,17H2,1H3,(H,28,32)
InChIKeyANMBATPPEAGUOA-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.14
Rot. Bonds6

About N-ethyl-1-(pyrazine-2-carbonyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide

N-ethyl-1-(pyrazine-2-carbonyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110083881) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-ethyl-1-(pyrazine-2-carbonyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(pyrazine-2-carbonyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID110083881
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-ethyl-1-(pyrazine-2-carbonyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C25H27N5O2/c1-2-28-24(32)25(8-14-30(15-9-25)23(31)22-18-27-12-13-29-22)17-19-4-3-5-21(16-19)20-6-10-26-11-7-20/h3-7,10-13,16,18H,2,8-9,14-15,17H2,1H3,(H,28,32)
InChIKeyANMBATPPEAGUOA-UHFFFAOYSA-N
XLogP3.14
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92592501
(3S)-N-ethyl-1-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592146
N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
CID 110084114
1-(cyclohexanecarbonyl)-N-ethyl-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805756
(3S)-N-ethyl-1-(pyrazine-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592493
(3R)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579676
N-ethyl-1-(pyridine-3-carbonyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083678
(3S)-N-ethyl-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592375
(3R)-N-ethyl-1-(2-fluorobenzoyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592440
1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
CID 110084101
N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 110229783
N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 110229697

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(pyrazine-2-carbonyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(pyrazine-2-carbonyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide (CID 110083881) is N-ethyl-1-(pyrazine-2-carbonyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(pyrazine-2-carbonyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(pyrazine-2-carbonyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide is CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of N-ethyl-1-(pyrazine-2-carbonyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is ANMBATPPEAGUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-2-28-24(32)25(8-14-30(15-9-25)23(31)22-18-27-12-13-29-22)17-19-4-3-5-21(16-19)20-6-10-26-11-7-20/h3-7,10-13,16,18H,2,8-9,14-15,17H2,1H3,(H,28,32).
What are the key properties of N-ethyl-1-(pyrazine-2-carbonyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
N-ethyl-1-(pyrazine-2-carbonyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(pyrazine-2-carbonyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110083881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).