N'-(2-cyanopyrimidin-4-yl)-2-cyclopentyl-N'-(2-methylpropyl)acetohydrazide

C16H23N5O — CID 11666593

IUPACN'-(2-cyanopyrimidin-4-yl)-2-cyclopentyl-N'-(2-methylpropyl)acetohydrazide
SMILESCC(C)CN(NC(=O)CC1CCCC1)c1ccnc(C#N)n1
InChIInChI=1S/C16H23N5O/c1-12(2)11-21(15-7-8-18-14(10-17)19-15)20-16(22)9-13-5-3-4-6-13/h7-8,12-13H,3-6,9,11H2,1-2H3,(H,20,22)
InChIKeyFFECGEYRGZEUJY-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.42
Rot. Bonds6

About N'-(2-cyanopyrimidin-4-yl)-2-cyclopentyl-N'-(2-methylpropyl)acetohydrazide

N'-(2-cyanopyrimidin-4-yl)-2-cyclopentyl-N'-(2-methylpropyl)acetohydrazide (PubChem CID 11666593) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N'-(2-cyanopyrimidin-4-yl)-2-cyclopentyl-N'-(2-methylpropyl)acetohydrazide.

Molecular Properties

Compound NameN'-(2-cyanopyrimidin-4-yl)-2-cyclopentyl-N'-(2-methylpropyl)acetohydrazide
PubChem CID11666593
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN'-(2-cyanopyrimidin-4-yl)-2-cyclopentyl-N'-(2-methylpropyl)acetohydrazide
SMILESCC(C)CN(NC(=O)CC1CCCC1)c1ccnc(C#N)n1
InChIInChI=1S/C16H23N5O/c1-12(2)11-21(15-7-8-18-14(10-17)19-15)20-16(22)9-13-5-3-4-6-13/h7-8,12-13H,3-6,9,11H2,1-2H3,(H,20,22)
InChIKeyFFECGEYRGZEUJY-UHFFFAOYSA-N
XLogP2.42
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyclopentylmethyl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate;ethane
CID 143197062
N'-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)pentanehydrazide;2,2,2-trifluoroacetic acid
CID 11689631
3,3-dimethylbutan-2-yl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate
CID 11587788
1-benzyl-3-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]urea;fluoromethane
CID 143197055
1-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]-3-(3-methoxyphenyl)urea
CID 11546978
N-[6-[butyl-[[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamoyl]amino]hexyl]acetamide
CID 70327257
ethane;[2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]heptan-2-yl] N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate
CID 143197000
1-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]-3-(3-methoxyphenyl)urea;2,2,2-trifluoroacetic acid
CID 11546977
1-butyl-3-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]urea
CID 70327251
N'-(2-cyanopyrimidin-4-yl)-1-cyclohexa-1,3-dien-1-yl-N'-(2-methylpropyl)methanesulfonohydrazide
CID 70327514
2-cyclopentyl-N-(4-methylpyrimidin-2-yl)acetamide
CID 167838726
N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-fluorobenzohydrazide
CID 11587914

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanopyrimidin-4-yl)-2-cyclopentyl-N'-(2-methylpropyl)acetohydrazide?
The IUPAC name of N'-(2-cyanopyrimidin-4-yl)-2-cyclopentyl-N'-(2-methylpropyl)acetohydrazide (CID 11666593) is N'-(2-cyanopyrimidin-4-yl)-2-cyclopentyl-N'-(2-methylpropyl)acetohydrazide.
What is the SMILES notation for N'-(2-cyanopyrimidin-4-yl)-2-cyclopentyl-N'-(2-methylpropyl)acetohydrazide?
The canonical SMILES for N'-(2-cyanopyrimidin-4-yl)-2-cyclopentyl-N'-(2-methylpropyl)acetohydrazide is CC(C)CN(NC(=O)CC1CCCC1)c1ccnc(C#N)n1.
What is the InChIKey of N'-(2-cyanopyrimidin-4-yl)-2-cyclopentyl-N'-(2-methylpropyl)acetohydrazide?
The InChIKey is FFECGEYRGZEUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12(2)11-21(15-7-8-18-14(10-17)19-15)20-16(22)9-13-5-3-4-6-13/h7-8,12-13H,3-6,9,11H2,1-2H3,(H,20,22).
What are the key properties of N'-(2-cyanopyrimidin-4-yl)-2-cyclopentyl-N'-(2-methylpropyl)acetohydrazide?
N'-(2-cyanopyrimidin-4-yl)-2-cyclopentyl-N'-(2-methylpropyl)acetohydrazide has a molecular weight of 301.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanopyrimidin-4-yl)-2-cyclopentyl-N'-(2-methylpropyl)acetohydrazide is sourced from PubChem (CID 11666593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).