N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide

C23H20ClN7O — CID 19151321

IUPACN'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
SMILESNc1c(NNC(=O)c2ccccc2Cl)ncnc1N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C23H20ClN7O/c24-18-11-5-4-10-17(18)23(32)30-29-21-20(25)22(28-15-27-21)31(19-12-6-7-13-26-19)14-16-8-2-1-3-9-16/h1-13,15H,14,25H2,(H,30,32)(H,27,28,29)
InChIKeyYNVJEHLLXSLHTJ-UHFFFAOYSA-N
MW445.91 g/mol
LogP4.20
Rot. Bonds7

About N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide

N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide (PubChem CID 19151321) has the molecular formula C23H20ClN7O and a molecular weight of 445.91 g/mol. Its IUPAC name is N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
PubChem CID19151321
Molecular FormulaC23H20ClN7O
Molecular Weight445.91 g/mol
Exact Mass445.14
IUPAC NameN'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
SMILESNc1c(NNC(=O)c2ccccc2Cl)ncnc1N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C23H20ClN7O/c24-18-11-5-4-10-17(18)23(32)30-29-21-20(25)22(28-15-27-21)31(19-12-6-7-13-26-19)14-16-8-2-1-3-9-16/h1-13,15H,14,25H2,(H,30,32)(H,27,28,29)
InChIKeyYNVJEHLLXSLHTJ-UHFFFAOYSA-N
XLogP4.20
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152191
N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151774
N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22539627
N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 22536122
4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19150486
4-N-benzyl-6-N-(4-chloro-2-methylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22546509
4-N-benzyl-6-N-(4-fluorophenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19149049
N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-3-chlorobenzohydrazide
CID 22536200
N'-[5-amino-6-[2-(2-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151292
4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19153504
N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-4-bromobenzohydrazide
CID 22535475
4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19136839

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide (CID 19151321) is N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide is Nc1c(NNC(=O)c2ccccc2Cl)ncnc1N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide?
The InChIKey is YNVJEHLLXSLHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7O/c24-18-11-5-4-10-17(18)23(32)30-29-21-20(25)22(28-15-27-21)31(19-12-6-7-13-26-19)14-16-8-2-1-3-9-16/h1-13,15H,14,25H2,(H,30,32)(H,27,28,29).
What are the key properties of N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide?
N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide has a molecular weight of 445.91 g/mol, XLogP of 4.20, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide is sourced from PubChem (CID 19151321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).