1-(1-pyridin-3-ylpyrrole-2-carbonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide

C26H28N4O2 — CID 93065284

IUPAC1-(1-pyridin-3-ylpyrrole-2-carbonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
SMILESO=C(N[C@H]1CCCc2ccccc21)C1CCN(C(=O)c2cccn2-c2cccnc2)CC1
InChIInChI=1S/C26H28N4O2/c31-25(28-23-10-3-7-19-6-1-2-9-22(19)23)20-12-16-29(17-13-20)26(32)24-11-5-15-30(24)21-8-4-14-27-18-21/h1-2,4-6,8-9,11,14-15,18,20,23H,3,7,10,12-13,16-17H2,(H,28,31)/t23-/m0/s1
InChIKeyFZEXOFMIOZJJRE-QHCPKHFHSA-N
MW428.54 g/mol
LogP3.92
Rot. Bonds4

About 1-(1-pyridin-3-ylpyrrole-2-carbonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide

1-(1-pyridin-3-ylpyrrole-2-carbonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide (PubChem CID 93065284) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-(1-pyridin-3-ylpyrrole-2-carbonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-pyridin-3-ylpyrrole-2-carbonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
PubChem CID93065284
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name1-(1-pyridin-3-ylpyrrole-2-carbonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
SMILESO=C(N[C@H]1CCCc2ccccc21)C1CCN(C(=O)c2cccn2-c2cccnc2)CC1
InChIInChI=1S/C26H28N4O2/c31-25(28-23-10-3-7-19-6-1-2-9-22(19)23)20-12-16-29(17-13-20)26(32)24-11-5-15-30(24)21-8-4-14-27-18-21/h1-2,4-6,8-9,11,14-15,18,20,23H,3,7,10,12-13,16-17H2,(H,28,31)/t23-/m0/s1
InChIKeyFZEXOFMIOZJJRE-QHCPKHFHSA-N
XLogP3.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylbenzoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 131896030
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
1-ethylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 17435645
N-(2-methoxy-5-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide
CID 53024421
N-(2,3-dihydro-1H-inden-1-yl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 51273823
1-butanoyl-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-4-carboxamide
CID 95287998
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693551
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
1-(4-methylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 3697521
1-(dimethylsulfamoyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 93487580
1-phenyl-3-pyridin-3-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 8001480
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-3-ylpyrrole-2-carbonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(1-pyridin-3-ylpyrrole-2-carbonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide (CID 93065284) is 1-(1-pyridin-3-ylpyrrole-2-carbonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-pyridin-3-ylpyrrole-2-carbonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1-pyridin-3-ylpyrrole-2-carbonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide is O=C(N[C@H]1CCCc2ccccc21)C1CCN(C(=O)c2cccn2-c2cccnc2)CC1.
What is the InChIKey of 1-(1-pyridin-3-ylpyrrole-2-carbonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The InChIKey is FZEXOFMIOZJJRE-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H28N4O2/c31-25(28-23-10-3-7-19-6-1-2-9-22(19)23)20-12-16-29(17-13-20)26(32)24-11-5-15-30(24)21-8-4-14-27-18-21/h1-2,4-6,8-9,11,14-15,18,20,23H,3,7,10,12-13,16-17H2,(H,28,31)/t23-/m0/s1.
What are the key properties of 1-(1-pyridin-3-ylpyrrole-2-carbonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
1-(1-pyridin-3-ylpyrrole-2-carbonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridin-3-ylpyrrole-2-carbonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 93065284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).