N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carbohydrazide

C17H23N7O — CID 19140515

IUPACN'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carbohydrazide
SMILESCCC1CCCCN1c1ncnc(NNC(=O)c2ccncc2)c1N
InChIInChI=1S/C17H23N7O/c1-2-13-5-3-4-10-24(13)16-14(18)15(20-11-21-16)22-23-17(25)12-6-8-19-9-7-12/h6-9,11,13H,2-5,10,18H2,1H3,(H,23,25)(H,20,21,22)
InChIKeyDYWNNJIINSEEPC-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.98
Rot. Bonds5

About N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carbohydrazide

N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carbohydrazide (PubChem CID 19140515) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carbohydrazide
PubChem CID19140515
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carbohydrazide
SMILESCCC1CCCCN1c1ncnc(NNC(=O)c2ccncc2)c1N
InChIInChI=1S/C17H23N7O/c1-2-13-5-3-4-10-24(13)16-14(18)15(20-11-21-16)22-23-17(25)12-6-8-19-9-7-12/h6-9,11,13H,2-5,10,18H2,1H3,(H,23,25)(H,20,21,22)
InChIKeyDYWNNJIINSEEPC-UHFFFAOYSA-N
XLogP1.98
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.98
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-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19140506
4-(2-ethylpiperidin-1-yl)-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19140445
N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151861
N'-[5-amino-6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19140174
N'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide
CID 19137173
N'-(5-amino-6-hydrazinylpyrimidin-4-yl)pyridine-4-carbohydrazide
CID 19150368
6-(2-ethylpiperidin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19140470
N'-[5-amino-6-[2-(2-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151292
4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22546179
6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19140543
methyl 1-[5-amino-6-[2-(4-methylbenzoyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate
CID 19150761
methyl 1-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate
CID 19151931

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carbohydrazide (CID 19140515) is N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carbohydrazide is CCC1CCCCN1c1ncnc(NNC(=O)c2ccncc2)c1N.
What is the InChIKey of N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carbohydrazide?
The InChIKey is DYWNNJIINSEEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-2-13-5-3-4-10-24(13)16-14(18)15(20-11-21-16)22-23-17(25)12-6-8-19-9-7-12/h6-9,11,13H,2-5,10,18H2,1H3,(H,23,25)(H,20,21,22).
What are the key properties of N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carbohydrazide?
N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carbohydrazide has a molecular weight of 341.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carbohydrazide is sourced from PubChem (CID 19140515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).