3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide

C18H23N5O — CID 71936440

IUPAC3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H23N5O/c19-17-16(20-8-9-21-17)18(24)22-11-15-7-4-10-23(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,15H,4,7,10-13H2,(H2,19,21)(H,22,24)
InChIKeyDQCJTVXFKYSWID-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.70
Rot. Bonds5

About 3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide

3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide (PubChem CID 71936440) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide
PubChem CID71936440
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H23N5O/c19-17-16(20-8-9-21-17)18(24)22-11-15-7-4-10-23(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,15H,4,7,10-13H2,(H2,19,21)(H,22,24)
InChIKeyDQCJTVXFKYSWID-UHFFFAOYSA-N
XLogP1.70
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97202083
3-amino-N-(cyclobutylmethyl)pyrazine-2-carboxamide
CID 38654065
N-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45243187
N-[(1-benzylpiperidin-3-yl)methyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562636
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 52534975
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
(2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide
CID 98848393
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide (CID 71936440) is 3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)NCC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is DQCJTVXFKYSWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c19-17-16(20-8-9-21-17)18(24)22-11-15-7-4-10-23(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,15H,4,7,10-13H2,(H2,19,21)(H,22,24).
What are the key properties of 3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide?
3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 71936440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).