5-amino-6-(naphthalene-2-carboximidoyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

C22H22N4O2 — CID 142836081

IUPAC5-amino-6-(naphthalene-2-carboximidoyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILES[H]/N=C(\c1ccc2ccccc2c1)c1nc(C(=O)NCC2CCCO2)ccc1N
InChIInChI=1S/C22H22N4O2/c23-18-9-10-19(22(27)25-13-17-6-3-11-28-17)26-21(18)20(24)16-8-7-14-4-1-2-5-15(14)12-16/h1-2,4-5,7-10,12,17,24H,3,6,11,13,23H2,(H,25,27)/b24-20+
InChIKeyHYDGSNGPXASMGC-HIXSDJFHSA-N
MW374.44 g/mol
LogP3.14
Rot. Bonds5

About 5-amino-6-(naphthalene-2-carboximidoyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

5-amino-6-(naphthalene-2-carboximidoyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 142836081) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-amino-6-(naphthalene-2-carboximidoyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(naphthalene-2-carboximidoyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID142836081
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name5-amino-6-(naphthalene-2-carboximidoyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILES[H]/N=C(\c1ccc2ccccc2c1)c1nc(C(=O)NCC2CCCO2)ccc1N
InChIInChI=1S/C22H22N4O2/c23-18-9-10-19(22(27)25-13-17-6-3-11-28-17)26-21(18)20(24)16-8-7-14-4-1-2-5-15(14)12-16/h1-2,4-5,7-10,12,17,24H,3,6,11,13,23H2,(H,25,27)/b24-20+
InChIKeyHYDGSNGPXASMGC-HIXSDJFHSA-N
XLogP3.14
TPSA101.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
6-methyl-2-(naphthalene-2-carboximidoyl)pyridin-3-amine
CID 142835886
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide
CID 110464461
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326032
N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096177
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
6-hydrazinyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 62237897

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(naphthalene-2-carboximidoyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-(naphthalene-2-carboximidoyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (CID 142836081) is 5-amino-6-(naphthalene-2-carboximidoyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(naphthalene-2-carboximidoyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-(naphthalene-2-carboximidoyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is [H]/N=C(\c1ccc2ccccc2c1)c1nc(C(=O)NCC2CCCO2)ccc1N.
What is the InChIKey of 5-amino-6-(naphthalene-2-carboximidoyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is HYDGSNGPXASMGC-HIXSDJFHSA-N. The full InChI is InChI=1S/C22H22N4O2/c23-18-9-10-19(22(27)25-13-17-6-3-11-28-17)26-21(18)20(24)16-8-7-14-4-1-2-5-15(14)12-16/h1-2,4-5,7-10,12,17,24H,3,6,11,13,23H2,(H,25,27)/b24-20+.
What are the key properties of 5-amino-6-(naphthalene-2-carboximidoyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
5-amino-6-(naphthalene-2-carboximidoyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(naphthalene-2-carboximidoyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 142836081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).