N-[4-[[(1-amino-2,3-dihydroindene-1-carbonyl)amino]methyl]phenyl]-3-hydroxypyridine-2-carboxamide

C23H22N4O3 — CID 171504969

IUPACN-[4-[[(1-amino-2,3-dihydroindene-1-carbonyl)amino]methyl]phenyl]-3-hydroxypyridine-2-carboxamide
SMILESNC1(C(=O)NCc2ccc(NC(=O)c3ncccc3O)cc2)CCc2ccccc21
InChIInChI=1S/C23H22N4O3/c24-23(12-11-16-4-1-2-5-18(16)23)22(30)26-14-15-7-9-17(10-8-15)27-21(29)20-19(28)6-3-13-25-20/h1-10,13,28H,11-12,14,24H2,(H,26,30)(H,27,29)
InChIKeyUYSOZVPVMIWMFS-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.46
Rot. Bonds5

About N-[4-[[(1-amino-2,3-dihydroindene-1-carbonyl)amino]methyl]phenyl]-3-hydroxypyridine-2-carboxamide

N-[4-[[(1-amino-2,3-dihydroindene-1-carbonyl)amino]methyl]phenyl]-3-hydroxypyridine-2-carboxamide (PubChem CID 171504969) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[4-[[(1-amino-2,3-dihydroindene-1-carbonyl)amino]methyl]phenyl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(1-amino-2,3-dihydroindene-1-carbonyl)amino]methyl]phenyl]-3-hydroxypyridine-2-carboxamide
PubChem CID171504969
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[4-[[(1-amino-2,3-dihydroindene-1-carbonyl)amino]methyl]phenyl]-3-hydroxypyridine-2-carboxamide
SMILESNC1(C(=O)NCc2ccc(NC(=O)c3ncccc3O)cc2)CCc2ccccc21
InChIInChI=1S/C23H22N4O3/c24-23(12-11-16-4-1-2-5-18(16)23)22(30)26-14-15-7-9-17(10-8-15)27-21(29)20-19(28)6-3-13-25-20/h1-10,13,28H,11-12,14,24H2,(H,26,30)(H,27,29)
InChIKeyUYSOZVPVMIWMFS-UHFFFAOYSA-N
XLogP2.46
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[4-[(3-hydroxypyridine-2-carbonyl)amino]phenyl]methyl]carbamate
CID 171505071
N-[5-[[[2-(1-aminocyclobutyl)-1H-imidazole-5-carbonyl]amino]methyl]-2-pyridinyl]-3-hydroxypyridine-2-carboxamide
CID 171504982
3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 62490450
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide
CID 119864752
3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide
CID 10466316
3-hydroxypyridine-2-carbohydrazide
CID 45083058
N-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide
CID 106910544
3-amino-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 104741943
N-[3-(ethylaminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide
CID 60924164
3-methyl-N-[4-(sulfamoylmethyl)phenyl]pyridine-2-carboxamide
CID 62340011
1-amino-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxamide
CID 138010238
N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119277261

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1-amino-2,3-dihydroindene-1-carbonyl)amino]methyl]phenyl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[4-[[(1-amino-2,3-dihydroindene-1-carbonyl)amino]methyl]phenyl]-3-hydroxypyridine-2-carboxamide (CID 171504969) is N-[4-[[(1-amino-2,3-dihydroindene-1-carbonyl)amino]methyl]phenyl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[(1-amino-2,3-dihydroindene-1-carbonyl)amino]methyl]phenyl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[4-[[(1-amino-2,3-dihydroindene-1-carbonyl)amino]methyl]phenyl]-3-hydroxypyridine-2-carboxamide is NC1(C(=O)NCc2ccc(NC(=O)c3ncccc3O)cc2)CCc2ccccc21.
What is the InChIKey of N-[4-[[(1-amino-2,3-dihydroindene-1-carbonyl)amino]methyl]phenyl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is UYSOZVPVMIWMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c24-23(12-11-16-4-1-2-5-18(16)23)22(30)26-14-15-7-9-17(10-8-15)27-21(29)20-19(28)6-3-13-25-20/h1-10,13,28H,11-12,14,24H2,(H,26,30)(H,27,29).
What are the key properties of N-[4-[[(1-amino-2,3-dihydroindene-1-carbonyl)amino]methyl]phenyl]-3-hydroxypyridine-2-carboxamide?
N-[4-[[(1-amino-2,3-dihydroindene-1-carbonyl)amino]methyl]phenyl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1-amino-2,3-dihydroindene-1-carbonyl)amino]methyl]phenyl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 171504969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).