N'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide

C16H19ClN6O — CID 19137533

IUPACN'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide
SMILESNc1c(NNC(=O)c2ccccc2Cl)ncnc1N1CCCCC1
InChIInChI=1S/C16H19ClN6O/c17-12-7-3-2-6-11(12)16(24)22-21-14-13(18)15(20-10-19-14)23-8-4-1-5-9-23/h2-3,6-7,10H,1,4-5,8-9,18H2,(H,22,24)(H,19,20,21)
InChIKeyCZIOSTUNXBDMAH-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.46
Rot. Bonds4

About N'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide

N'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide (PubChem CID 19137533) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is N'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide
PubChem CID19137533
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC NameN'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide
SMILESNc1c(NNC(=O)c2ccccc2Cl)ncnc1N1CCCCC1
InChIInChI=1S/C16H19ClN6O/c17-12-7-3-2-6-11(12)16(24)22-21-14-13(18)15(20-10-19-14)23-8-4-1-5-9-23/h2-3,6-7,10H,1,4-5,8-9,18H2,(H,22,24)(H,19,20,21)
InChIKeyCZIOSTUNXBDMAH-UHFFFAOYSA-N
XLogP2.46
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.46
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

2-chloro-N'-(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)benzohydrazide
CID 23489238
N'-[5-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151703
N'-[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19137910
N'-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19138617
N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 19137361
N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19139319
N'-[5-amino-6-[2-(2-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151292
N'-(5-amino-6-morpholin-4-ylpyrimidin-4-yl)-2-methoxybenzohydrazide
CID 19137718
ethyl 4-[5-amino-6-[2-(2-methylbenzoyl)hydrazinyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 19150942
N'-[5-amino-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19140675
N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19137364
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19148804

Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide?
The IUPAC name of N'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide (CID 19137533) is N'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide.
What is the SMILES notation for N'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide?
The canonical SMILES for N'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide is Nc1c(NNC(=O)c2ccccc2Cl)ncnc1N1CCCCC1.
What is the InChIKey of N'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide?
The InChIKey is CZIOSTUNXBDMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O/c17-12-7-3-2-6-11(12)16(24)22-21-14-13(18)15(20-10-19-14)23-8-4-1-5-9-23/h2-3,6-7,10H,1,4-5,8-9,18H2,(H,22,24)(H,19,20,21).
What are the key properties of N'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide?
N'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide has a molecular weight of 346.82 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide is sourced from PubChem (CID 19137533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).