4-(2-aminopropan-2-yl)-N-[2-(2,2-dimethylhydrazinyl)-4-pyridinyl]cyclohexane-1-carboxamide

C17H29N5O — CID 18998546

IUPAC4-(2-aminopropan-2-yl)-N-[2-(2,2-dimethylhydrazinyl)-4-pyridinyl]cyclohexane-1-carboxamide
SMILESCN(C)Nc1cc(NC(=O)C2CCC(C(C)(C)N)CC2)ccn1
InChIInChI=1S/C17H29N5O/c1-17(2,18)13-7-5-12(6-8-13)16(23)20-14-9-10-19-15(11-14)21-22(3)4/h9-13H,5-8,18H2,1-4H3,(H2,19,20,21,23)
InChIKeyRWTSNFPLOXMSRD-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.45
Rot. Bonds5

About 4-(2-aminopropan-2-yl)-N-[2-(2,2-dimethylhydrazinyl)-4-pyridinyl]cyclohexane-1-carboxamide

4-(2-aminopropan-2-yl)-N-[2-(2,2-dimethylhydrazinyl)-4-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 18998546) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-N-[2-(2,2-dimethylhydrazinyl)-4-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-N-[2-(2,2-dimethylhydrazinyl)-4-pyridinyl]cyclohexane-1-carboxamide
PubChem CID18998546
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name4-(2-aminopropan-2-yl)-N-[2-(2,2-dimethylhydrazinyl)-4-pyridinyl]cyclohexane-1-carboxamide
SMILESCN(C)Nc1cc(NC(=O)C2CCC(C(C)(C)N)CC2)ccn1
InChIInChI=1S/C17H29N5O/c1-17(2,18)13-7-5-12(6-8-13)16(23)20-14-9-10-19-15(11-14)21-22(3)4/h9-13H,5-8,18H2,1-4H3,(H2,19,20,21,23)
InChIKeyRWTSNFPLOXMSRD-UHFFFAOYSA-N
XLogP2.45
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminopropan-2-yl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide
CID 18998639
4-(2-aminopropan-2-yl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)cyclohexane-1-carboxamide;hydrate;dihydrochloride
CID 70284946
N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 61252070
4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide
CID 59618347
2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 136541713
4-acetyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 170566312
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide
CID 130404848
2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide
CID 59617959
4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclohexane-1-carboxamide
CID 42982642
N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 17204538
N-[2-[2-(4-aminophenyl)ethynyl]-4-pyridinyl]cyclopropanecarboxamide
CID 145287948

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-N-[2-(2,2-dimethylhydrazinyl)-4-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(2-aminopropan-2-yl)-N-[2-(2,2-dimethylhydrazinyl)-4-pyridinyl]cyclohexane-1-carboxamide (CID 18998546) is 4-(2-aminopropan-2-yl)-N-[2-(2,2-dimethylhydrazinyl)-4-pyridinyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-N-[2-(2,2-dimethylhydrazinyl)-4-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2-aminopropan-2-yl)-N-[2-(2,2-dimethylhydrazinyl)-4-pyridinyl]cyclohexane-1-carboxamide is CN(C)Nc1cc(NC(=O)C2CCC(C(C)(C)N)CC2)ccn1.
What is the InChIKey of 4-(2-aminopropan-2-yl)-N-[2-(2,2-dimethylhydrazinyl)-4-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is RWTSNFPLOXMSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-17(2,18)13-7-5-12(6-8-13)16(23)20-14-9-10-19-15(11-14)21-22(3)4/h9-13H,5-8,18H2,1-4H3,(H2,19,20,21,23).
What are the key properties of 4-(2-aminopropan-2-yl)-N-[2-(2,2-dimethylhydrazinyl)-4-pyridinyl]cyclohexane-1-carboxamide?
4-(2-aminopropan-2-yl)-N-[2-(2,2-dimethylhydrazinyl)-4-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-N-[2-(2,2-dimethylhydrazinyl)-4-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 18998546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).