3-[4-(aminomethyl)piperidine-1-carbonyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide

C19H22FN5O2 — CID 119423403

IUPAC3-[4-(aminomethyl)piperidine-1-carbonyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESNCC1CCN(C(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN5O2/c20-15-3-1-14(2-4-15)12-24-18(26)16-17(23-8-7-22-16)19(27)25-9-5-13(11-21)6-10-25/h1-4,7-8,13H,5-6,9-12,21H2,(H,24,26)
InChIKeyUVPQBKRMDMPNGS-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.36
Rot. Bonds5

About 3-[4-(aminomethyl)piperidine-1-carbonyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide

3-[4-(aminomethyl)piperidine-1-carbonyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 119423403) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 3-[4-(aminomethyl)piperidine-1-carbonyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[4-(aminomethyl)piperidine-1-carbonyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID119423403
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name3-[4-(aminomethyl)piperidine-1-carbonyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESNCC1CCN(C(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN5O2/c20-15-3-1-14(2-4-15)12-24-18(26)16-17(23-8-7-22-16)19(27)25-9-5-13(11-21)6-10-25/h1-4,7-8,13H,5-6,9-12,21H2,(H,24,26)
InChIKeyUVPQBKRMDMPNGS-UHFFFAOYSA-N
XLogP1.36
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-aminopiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 119374719
3-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 102557220
2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 46294982
2-N-[(4-fluorophenyl)methyl]-3-N-(2-methylpiperidin-4-yl)pyrazine-2,3-dicarboxamide
CID 120601681
(3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126425242
4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109084860
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739988
N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494541
N-[(4-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084148
methyl 2-[[[3-[(4-fluorophenyl)methylcarbamoyl]pyrazine-2-carbonyl]amino]carbamoylamino]acetate
CID 75452210
(3R)-N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95826652
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)piperidine-1-carbonyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-[4-(aminomethyl)piperidine-1-carbonyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide (CID 119423403) is 3-[4-(aminomethyl)piperidine-1-carbonyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[4-(aminomethyl)piperidine-1-carbonyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[4-(aminomethyl)piperidine-1-carbonyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide is NCC1CCN(C(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-(aminomethyl)piperidine-1-carbonyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is UVPQBKRMDMPNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c20-15-3-1-14(2-4-15)12-24-18(26)16-17(23-8-7-22-16)19(27)25-9-5-13(11-21)6-10-25/h1-4,7-8,13H,5-6,9-12,21H2,(H,24,26).
What are the key properties of 3-[4-(aminomethyl)piperidine-1-carbonyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
3-[4-(aminomethyl)piperidine-1-carbonyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)piperidine-1-carbonyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 119423403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).