5-(2-nitro-5-piperidin-1-ylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide

C26H27N5O3 — CID 118246656

IUPAC5-(2-nitro-5-piperidin-1-ylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide
SMILESO=C(NC1CCCc2ccccc21)c1cnc(-c2cc(N3CCCCC3)ccc2[N+](=O)[O-])cn1
InChIInChI=1S/C26H27N5O3/c32-26(29-22-10-6-8-18-7-2-3-9-20(18)22)24-17-27-23(16-28-24)21-15-19(11-12-25(21)31(33)34)30-13-4-1-5-14-30/h2-3,7,9,11-12,15-17,22H,1,4-6,8,10,13-14H2,(H,29,32)
InChIKeyQIUAYPSPQYKKIZ-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.85
Rot. Bonds5

About 5-(2-nitro-5-piperidin-1-ylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide

5-(2-nitro-5-piperidin-1-ylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide (PubChem CID 118246656) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 5-(2-nitro-5-piperidin-1-ylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-nitro-5-piperidin-1-ylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide
PubChem CID118246656
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name5-(2-nitro-5-piperidin-1-ylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide
SMILESO=C(NC1CCCc2ccccc21)c1cnc(-c2cc(N3CCCCC3)ccc2[N+](=O)[O-])cn1
InChIInChI=1S/C26H27N5O3/c32-26(29-22-10-6-8-18-7-2-3-9-20(18)22)24-17-27-23(16-28-24)21-15-19(11-12-25(21)31(33)34)30-13-4-1-5-14-30/h2-3,7,9,11-12,15-17,22H,1,4-6,8,10,13-14H2,(H,29,32)
InChIKeyQIUAYPSPQYKKIZ-UHFFFAOYSA-N
XLogP4.85
TPSA101.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-4-piperidin-1-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7891549
3-[2-[2-[2-[3-[3-[[4-piperidin-1-yl-2-[5-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrazin-2-yl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 118246649
4-piperidin-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92679213
4-piperidin-1-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92679214
5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2654690
4-amino-3-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7550785
4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7891552
4-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9216819
2-chloro-4-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2468990
4-imidazol-1-yl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 5000431
4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 95086250
2-(2-piperidin-1-yl-4-pyridinyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide
CID 95056667

Frequently Asked Questions

What is the IUPAC name of 5-(2-nitro-5-piperidin-1-ylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-nitro-5-piperidin-1-ylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide (CID 118246656) is 5-(2-nitro-5-piperidin-1-ylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-nitro-5-piperidin-1-ylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-nitro-5-piperidin-1-ylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide is O=C(NC1CCCc2ccccc21)c1cnc(-c2cc(N3CCCCC3)ccc2[N+](=O)[O-])cn1.
What is the InChIKey of 5-(2-nitro-5-piperidin-1-ylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide?
The InChIKey is QIUAYPSPQYKKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c32-26(29-22-10-6-8-18-7-2-3-9-20(18)22)24-17-27-23(16-28-24)21-15-19(11-12-25(21)31(33)34)30-13-4-1-5-14-30/h2-3,7,9,11-12,15-17,22H,1,4-6,8,10,13-14H2,(H,29,32).
What are the key properties of 5-(2-nitro-5-piperidin-1-ylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide?
5-(2-nitro-5-piperidin-1-ylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitro-5-piperidin-1-ylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 118246656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).