1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide

C23H26N6O3 — CID 56555754

IUPAC1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(N2CCCCC2)n[nH]1)C1CCCN1C(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C23H26N6O3/c30-19-16-8-3-2-7-15(16)10-11-17(19)21(32)29-14-6-9-18(29)20(31)24-22-25-23(27-26-22)28-12-4-1-5-13-28/h2-3,7-8,10-11,18,30H,1,4-6,9,12-14H2,(H2,24,25,26,27,31)
InChIKeyORYMFBVQJMUQNE-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.90
Rot. Bonds4

About 1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide

1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 56555754) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID56555754
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(N2CCCCC2)n[nH]1)C1CCCN1C(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C23H26N6O3/c30-19-16-8-3-2-7-15(16)10-11-17(19)21(32)29-14-6-9-18(29)20(31)24-22-25-23(27-26-22)28-12-4-1-5-13-28/h2-3,7-8,10-11,18,30H,1,4-6,9,12-14H2,(H2,24,25,26,27,31)
InChIKeyORYMFBVQJMUQNE-UHFFFAOYSA-N
XLogP2.90
TPSA114.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-hydroxy-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 87749033
1-acetyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 75370591
(2R)-N-(3-ethynylphenyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 52515302
1-(1-hydroxynaphthalene-2-carbonyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 56581797
1-(1-hydroxynaphthalene-2-carbonyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 136529072
1-(1-hydroxynaphthalene-2-carbonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 56561278
[2-(bromomethyl)pyrrolidin-1-yl]-(1-hydroxynaphthalen-2-yl)methanone
CID 80678334
3-hydroxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide
CID 56556236
(2S)-N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 97024105
(1-hydroxynaphthalen-2-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 111696077
(2S)-1-(naphthalene-1-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 66824551
1-[4-[(2R)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 95342823

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide (CID 56555754) is 1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide is O=C(Nc1nc(N2CCCCC2)n[nH]1)C1CCCN1C(=O)c1ccc2ccccc2c1O.
What is the InChIKey of 1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is ORYMFBVQJMUQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c30-19-16-8-3-2-7-15(16)10-11-17(19)21(32)29-14-6-9-18(29)20(31)24-22-25-23(27-26-22)28-12-4-1-5-13-28/h2-3,7-8,10-11,18,30H,1,4-6,9,12-14H2,(H2,24,25,26,27,31).
What are the key properties of 1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide?
1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56555754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).