N'-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide

C16H16N8O — CID 22542842

IUPACN'-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide
SMILESNc1c(NCc2cccnc2)ncnc1NNC(=O)c1ccncc1
InChIInChI=1S/C16H16N8O/c17-13-14(20-9-11-2-1-5-19-8-11)21-10-22-15(13)23-24-16(25)12-3-6-18-7-4-12/h1-8,10H,9,17H2,(H,24,25)(H2,20,21,22,23)
InChIKeyDGNPEUMGKXPXQY-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.22
Rot. Bonds6

About N'-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide

N'-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide (PubChem CID 22542842) has the molecular formula C16H16N8O and a molecular weight of 336.36 g/mol. Its IUPAC name is N'-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide
PubChem CID22542842
Molecular FormulaC16H16N8O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN'-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide
SMILESNc1c(NCc2cccnc2)ncnc1NNC(=O)c1ccncc1
InChIInChI=1S/C16H16N8O/c17-13-14(20-9-11-2-1-5-19-8-11)21-10-22-15(13)23-24-16(25)12-3-6-18-7-4-12/h1-8,10H,9,17H2,(H,24,25)(H2,20,21,22,23)
InChIKeyDGNPEUMGKXPXQY-UHFFFAOYSA-N
XLogP1.22
TPSA130.74 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.22
H-Bond Donors ≤ 54
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-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151889
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19150633
N'-[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22542619
N'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide
CID 19137173
6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542824
N'-(5-amino-6-hydrazinylpyrimidin-4-yl)pyridine-4-carbohydrazide
CID 19150368
N'-[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22542620
4-chloro-N'-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]benzohydrazide
CID 23481347
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19134894
N'-[5-amino-6-[2-(4-fluorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151134
N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135090
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151902

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide (CID 22542842) is N'-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide is Nc1c(NCc2cccnc2)ncnc1NNC(=O)c1ccncc1.
What is the InChIKey of N'-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide?
The InChIKey is DGNPEUMGKXPXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O/c17-13-14(20-9-11-2-1-5-19-8-11)21-10-22-15(13)23-24-16(25)12-3-6-18-7-4-12/h1-8,10H,9,17H2,(H,24,25)(H2,20,21,22,23).
What are the key properties of N'-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide?
N'-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide has a molecular weight of 336.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide is sourced from PubChem (CID 22542842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).