N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide

C17H24N8O — CID 19151861

IUPACN'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide
SMILESCN1CCC(N(C)c2ncnc(NNC(=O)c3ccncc3)c2N)CC1
InChIInChI=1S/C17H24N8O/c1-24-9-5-13(6-10-24)25(2)16-14(18)15(20-11-21-16)22-23-17(26)12-3-7-19-8-4-12/h3-4,7-8,11,13H,5-6,9-10,18H2,1-2H3,(H,23,26)(H,20,21,22)
InChIKeyUUWOMZLKMJXAND-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.74
Rot. Bonds5

About N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide

N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide (PubChem CID 19151861) has the molecular formula C17H24N8O and a molecular weight of 356.43 g/mol. Its IUPAC name is N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide
PubChem CID19151861
Molecular FormulaC17H24N8O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC NameN'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide
SMILESCN1CCC(N(C)c2ncnc(NNC(=O)c3ccncc3)c2N)CC1
InChIInChI=1S/C17H24N8O/c1-24-9-5-13(6-10-24)25(2)16-14(18)15(20-11-21-16)22-23-17(26)12-3-7-19-8-4-12/h3-4,7-8,11,13H,5-6,9-10,18H2,1-2H3,(H,23,26)(H,20,21,22)
InChIKeyUUWOMZLKMJXAND-UHFFFAOYSA-N
XLogP0.74
TPSA112.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151567
N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 19151642
1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547538
N'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide
CID 19137173
N'-(5-amino-6-hydrazinylpyrimidin-4-yl)pyridine-4-carbohydrazide
CID 19150368
N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19140515
4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19153784
4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19144124
6-N-(4-iodophenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19148960
4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542886
4-N-methyl-6-N-[(4-methylphenyl)methyl]-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19150322
N'-[5-amino-6-[2-(2-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151292

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide (CID 19151861) is N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide is CN1CCC(N(C)c2ncnc(NNC(=O)c3ccncc3)c2N)CC1.
What is the InChIKey of N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide?
The InChIKey is UUWOMZLKMJXAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O/c1-24-9-5-13(6-10-24)25(2)16-14(18)15(20-11-21-16)22-23-17(26)12-3-7-19-8-4-12/h3-4,7-8,11,13H,5-6,9-10,18H2,1-2H3,(H,23,26)(H,20,21,22).
What are the key properties of N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide?
N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide has a molecular weight of 356.43 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide is sourced from PubChem (CID 19151861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).