N'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide

C21H16ClN5O2 — CID 22541478

IUPACN'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide
SMILESNc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1Oc1cccc2ccccc12
InChIInChI=1S/C21H16ClN5O2/c22-15-10-8-14(9-11-15)20(28)27-26-19-18(23)21(25-12-24-19)29-17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,23H2,(H,27,28)(H,24,25,26)
InChIKeyHGRLASDPADTMTN-UHFFFAOYSA-N
MW405.85 g/mol
LogP4.41
Rot. Bonds5

About N'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide

N'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide (PubChem CID 22541478) has the molecular formula C21H16ClN5O2 and a molecular weight of 405.85 g/mol. Its IUPAC name is N'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide
PubChem CID22541478
Molecular FormulaC21H16ClN5O2
Molecular Weight405.85 g/mol
Exact Mass405.10
IUPAC NameN'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide
SMILESNc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1Oc1cccc2ccccc12
InChIInChI=1S/C21H16ClN5O2/c22-15-10-8-14(9-11-15)20(28)27-26-19-18(23)21(25-12-24-19)29-17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,23H2,(H,27,28)(H,24,25,26)
InChIKeyHGRLASDPADTMTN-UHFFFAOYSA-N
XLogP4.41
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.85
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19151022
N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150707
4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine
CID 22541503
N'-[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151807
N'-[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151878
N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide
CID 22543710
4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541353
N'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 19148702
N'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide
CID 19150655
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19150984
2,4-dichloro-N'-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)benzohydrazide
CID 23479972
N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19144912

Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide?
The IUPAC name of N'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide (CID 22541478) is N'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide.
What is the SMILES notation for N'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide?
The canonical SMILES for N'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide is Nc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1Oc1cccc2ccccc12.
What is the InChIKey of N'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide?
The InChIKey is HGRLASDPADTMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O2/c22-15-10-8-14(9-11-15)20(28)27-26-19-18(23)21(25-12-24-19)29-17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,23H2,(H,27,28)(H,24,25,26).
What are the key properties of N'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide?
N'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide has a molecular weight of 405.85 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide is sourced from PubChem (CID 22541478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).