5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-piperidin-4-ylpyridine-2-carboxamide

C22H21N3O3 — CID 52934159

IUPAC5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-piperidin-4-ylpyridine-2-carboxamide
SMILESO=Cc1c(O)ccc2cc(-c3ccc(C(=O)NC4CCNCC4)nc3)ccc12
InChIInChI=1S/C22H21N3O3/c26-13-19-18-4-1-14(11-15(18)3-6-21(19)27)16-2-5-20(24-12-16)22(28)25-17-7-9-23-10-8-17/h1-6,11-13,17,23,27H,7-10H2,(H,25,28)
InChIKeyGTTWDIYDIIRRPG-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.90
Rot. Bonds4

About 5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-piperidin-4-ylpyridine-2-carboxamide

5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-piperidin-4-ylpyridine-2-carboxamide (PubChem CID 52934159) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-piperidin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-piperidin-4-ylpyridine-2-carboxamide
PubChem CID52934159
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-piperidin-4-ylpyridine-2-carboxamide
SMILESO=Cc1c(O)ccc2cc(-c3ccc(C(=O)NC4CCNCC4)nc3)ccc12
InChIInChI=1S/C22H21N3O3/c26-13-19-18-4-1-14(11-15(18)3-6-21(19)27)16-2-5-20(24-12-16)22(28)25-17-7-9-23-10-8-17/h1-6,11-13,17,23,27H,7-10H2,(H,25,28)
InChIKeyGTTWDIYDIIRRPG-UHFFFAOYSA-N
XLogP2.90
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-N-pyridin-3-yl-2-naphthamide
CID 5303059
3-Hydroxy-N-(pyridin-4-yl)naphthalene-2-carboxamide
CID 24684670
1-hydroxy-N-[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]naphthalene-2-carboxamide
CID 44401829
4-{4-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allylcarbamoyl]-phenyl}-pyridine-2-carboxylic acid amide
CID 135404951
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 54755602
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-vinylpyridin-3-yl)methyl]-2-naphthamide
CID 54755721
N-[(1S,2S)-2-Hydroxycyclohexyl]-1-methoxy-4-[(6-ethylpyridin-3-yl)methyl]-2-naphthamide
CID 71280872
Ethyl 3-hydroxy-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalene-2-carboxylate
CID 132022623
3-hydroxy-N-[1-(2-pyridyl)ethylideneamino]-2-naphthamide
CID 9615909
(E)-1-(1-hydroxynaphthalen-2-yl)-3-pyridin-2-ylprop-2-en-1-one
CID 21239772
3-Hydroxy-anthracene-2-carboxylic acid (6-guanidino-pyridin-3-yl)-amide
CID 44304087
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-methoxy-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 76310997

Frequently Asked Questions

What is the IUPAC name of 5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-piperidin-4-ylpyridine-2-carboxamide?
The IUPAC name of 5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-piperidin-4-ylpyridine-2-carboxamide (CID 52934159) is 5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-piperidin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-piperidin-4-ylpyridine-2-carboxamide?
The canonical SMILES for 5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-piperidin-4-ylpyridine-2-carboxamide is O=Cc1c(O)ccc2cc(-c3ccc(C(=O)NC4CCNCC4)nc3)ccc12.
What is the InChIKey of 5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-piperidin-4-ylpyridine-2-carboxamide?
The InChIKey is GTTWDIYDIIRRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-13-19-18-4-1-14(11-15(18)3-6-21(19)27)16-2-5-20(24-12-16)22(28)25-17-7-9-23-10-8-17/h1-6,11-13,17,23,27H,7-10H2,(H,25,28).
What are the key properties of 5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-piperidin-4-ylpyridine-2-carboxamide?
5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-piperidin-4-ylpyridine-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-piperidin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 52934159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).