1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide

C21H26N4O — CID 67103104

IUPAC1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CNCCN1Cc1ccccn1
InChIInChI=1S/C21H26N4O/c26-21(24-19-10-5-7-16-6-1-2-9-18(16)19)20-14-22-12-13-25(20)15-17-8-3-4-11-23-17/h1-4,6,8-9,11,19-20,22H,5,7,10,12-15H2,(H,24,26)
InChIKeyVUEDHSQRBXCFKX-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.05
Rot. Bonds4

About 1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide

1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide (PubChem CID 67103104) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
PubChem CID67103104
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CNCCN1Cc1ccccn1
InChIInChI=1S/C21H26N4O/c26-21(24-19-10-5-7-16-6-1-2-9-18(16)19)20-14-22-12-13-25(20)15-17-8-3-4-11-23-17/h1-4,6,8-9,11,19-20,22H,5,7,10,12-15H2,(H,24,26)
InChIKeyVUEDHSQRBXCFKX-UHFFFAOYSA-N
XLogP2.05
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30730233
N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 43652010
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-2-carboxamide
CID 141153564
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
(2S)-1-[(2S)-3-methyl-2-(2-methylpropanoylamino)butanoyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
CID 173139030
3-(2-pyridin-3-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 120755177
2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 62318149
1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide
CID 51240613
(2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
CID 70975232
(2R)-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 67972243
3-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 120753701
(2R)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 59415524

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide?
The IUPAC name of 1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide (CID 67103104) is 1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide?
The canonical SMILES for 1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide is O=C(NC1CCCc2ccccc21)C1CNCCN1Cc1ccccn1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide?
The InChIKey is VUEDHSQRBXCFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(24-19-10-5-7-16-6-1-2-9-18(16)19)20-14-22-12-13-25(20)15-17-8-3-4-11-23-17/h1-4,6,8-9,11,19-20,22H,5,7,10,12-15H2,(H,24,26).
What are the key properties of 1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide?
1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide is sourced from PubChem (CID 67103104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).