N-(cyclopropylmethyl)-N'-hydroxy-6-naphthalen-2-yloxy-N-propylpyridine-3-carboximidamide

C23H25N3O2 — CID 56669279

IUPACN-(cyclopropylmethyl)-N'-hydroxy-6-naphthalen-2-yloxy-N-propylpyridine-3-carboximidamide
SMILESCCCN(CC1CC1)/C(=N\O)c1ccc(Oc2ccc3ccccc3c2)nc1
InChIInChI=1S/C23H25N3O2/c1-2-13-26(16-17-7-8-17)23(25-27)20-10-12-22(24-15-20)28-21-11-9-18-5-3-4-6-19(18)14-21/h3-6,9-12,14-15,17,27H,2,7-8,13,16H2,1H3/b25-23-
InChIKeyLHIKUNLNNUPGNY-BZZOAKBMSA-N
MW375.47 g/mol
LogP5.28
Rot. Bonds7

About N-(cyclopropylmethyl)-N'-hydroxy-6-naphthalen-2-yloxy-N-propylpyridine-3-carboximidamide

N-(cyclopropylmethyl)-N'-hydroxy-6-naphthalen-2-yloxy-N-propylpyridine-3-carboximidamide (PubChem CID 56669279) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N'-hydroxy-6-naphthalen-2-yloxy-N-propylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N'-hydroxy-6-naphthalen-2-yloxy-N-propylpyridine-3-carboximidamide
PubChem CID56669279
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-(cyclopropylmethyl)-N'-hydroxy-6-naphthalen-2-yloxy-N-propylpyridine-3-carboximidamide
SMILESCCCN(CC1CC1)/C(=N\O)c1ccc(Oc2ccc3ccccc3c2)nc1
InChIInChI=1S/C23H25N3O2/c1-2-13-26(16-17-7-8-17)23(25-27)20-10-12-22(24-15-20)28-21-11-9-18-5-3-4-6-19(18)14-21/h3-6,9-12,14-15,17,27H,2,7-8,13,16H2,1H3/b25-23-
InChIKeyLHIKUNLNNUPGNY-BZZOAKBMSA-N
XLogP5.28
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide
CID 56679317
N-(cyclopropylmethyl)-2-(3-fluorophenoxy)-N'-hydroxy-6-methyl-N-propylpyridine-3-carboximidamide
CID 56658990
1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea
CID 3853598
N-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide
CID 77005162
N-(cyclopropylmethyl)-3-hydroxy-N-propylnaphthalene-2-carboxamide
CID 60654196
N-(cyclopropylmethyl)-N'-hydroxy-6-methyl-2-[(4-propan-2-ylphenyl)methoxy]-N-propylpyridine-3-carboximidamide
CID 56682266
N-(cyclopropylmethyl)-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 41138685
N-(cyclopropylmethyl)-N-propyl-1H-indole-6-carboxamide
CID 61060523
6-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylpyridine-3-carboxamide
CID 55771012
6-[4-[2-[cyclopentyl(propyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 91471625
(5-naphthalen-2-yloxypyrazin-2-yl)methanol
CID 107373089
N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide
CID 76946444

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N'-hydroxy-6-naphthalen-2-yloxy-N-propylpyridine-3-carboximidamide?
The IUPAC name of N-(cyclopropylmethyl)-N'-hydroxy-6-naphthalen-2-yloxy-N-propylpyridine-3-carboximidamide (CID 56669279) is N-(cyclopropylmethyl)-N'-hydroxy-6-naphthalen-2-yloxy-N-propylpyridine-3-carboximidamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N'-hydroxy-6-naphthalen-2-yloxy-N-propylpyridine-3-carboximidamide?
The canonical SMILES for N-(cyclopropylmethyl)-N'-hydroxy-6-naphthalen-2-yloxy-N-propylpyridine-3-carboximidamide is CCCN(CC1CC1)/C(=N\O)c1ccc(Oc2ccc3ccccc3c2)nc1.
What is the InChIKey of N-(cyclopropylmethyl)-N'-hydroxy-6-naphthalen-2-yloxy-N-propylpyridine-3-carboximidamide?
The InChIKey is LHIKUNLNNUPGNY-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-13-26(16-17-7-8-17)23(25-27)20-10-12-22(24-15-20)28-21-11-9-18-5-3-4-6-19(18)14-21/h3-6,9-12,14-15,17,27H,2,7-8,13,16H2,1H3/b25-23-.
What are the key properties of N-(cyclopropylmethyl)-N'-hydroxy-6-naphthalen-2-yloxy-N-propylpyridine-3-carboximidamide?
N-(cyclopropylmethyl)-N'-hydroxy-6-naphthalen-2-yloxy-N-propylpyridine-3-carboximidamide has a molecular weight of 375.47 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N'-hydroxy-6-naphthalen-2-yloxy-N-propylpyridine-3-carboximidamide is sourced from PubChem (CID 56669279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).