[6-[(5-cyano-2-pyridinyl)amino]-2,2-dimethylhexan-3-yl] carbamate

C15H22N4O2 — CID 67218178

IUPAC[6-[(5-cyano-2-pyridinyl)amino]-2,2-dimethylhexan-3-yl] carbamate
SMILESCC(C)(C)C(CCCNc1ccc(C#N)cn1)OC(N)=O
InChIInChI=1S/C15H22N4O2/c1-15(2,3)12(21-14(17)20)5-4-8-18-13-7-6-11(9-16)10-19-13/h6-7,10,12H,4-5,8H2,1-3H3,(H2,17,20)(H,18,19)
InChIKeyIWIKSFCZRVZCCR-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.66
Rot. Bonds6

About [6-[(5-cyano-2-pyridinyl)amino]-2,2-dimethylhexan-3-yl] carbamate

[6-[(5-cyano-2-pyridinyl)amino]-2,2-dimethylhexan-3-yl] carbamate (PubChem CID 67218178) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [6-[(5-cyano-2-pyridinyl)amino]-2,2-dimethylhexan-3-yl] carbamate.

Molecular Properties

Compound Name[6-[(5-cyano-2-pyridinyl)amino]-2,2-dimethylhexan-3-yl] carbamate
PubChem CID67218178
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name[6-[(5-cyano-2-pyridinyl)amino]-2,2-dimethylhexan-3-yl] carbamate
SMILESCC(C)(C)C(CCCNc1ccc(C#N)cn1)OC(N)=O
InChIInChI=1S/C15H22N4O2/c1-15(2,3)12(21-14(17)20)5-4-8-18-13-7-6-11(9-16)10-19-13/h6-7,10,12H,4-5,8H2,1-3H3,(H2,17,20)(H,18,19)
InChIKeyIWIKSFCZRVZCCR-UHFFFAOYSA-N
XLogP2.66
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid
CID 65284946
6-(3-ethoxypropylamino)pyridine-3-carbonitrile
CID 24692457
3-[(5-cyano-2-pyridinyl)amino]-2-hydroxypropanamide
CID 107257703
6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile
CID 70343808
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
6-[[(2S)-2-hydroxy-3,3-dimethylbutyl]amino]pyridine-3-carbonitrile
CID 95623512
tert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate
CID 60502996
6-(3-phenoxypropylamino)pyridine-3-carbonitrile
CID 60706290
(2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide
CID 97236005
2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789
6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile
CID 52545859
2-[(5-cyano-2-pyridinyl)amino]ethanesulfonamide
CID 43552431

Frequently Asked Questions

What is the IUPAC name of [6-[(5-cyano-2-pyridinyl)amino]-2,2-dimethylhexan-3-yl] carbamate?
The IUPAC name of [6-[(5-cyano-2-pyridinyl)amino]-2,2-dimethylhexan-3-yl] carbamate (CID 67218178) is [6-[(5-cyano-2-pyridinyl)amino]-2,2-dimethylhexan-3-yl] carbamate.
What is the SMILES notation for [6-[(5-cyano-2-pyridinyl)amino]-2,2-dimethylhexan-3-yl] carbamate?
The canonical SMILES for [6-[(5-cyano-2-pyridinyl)amino]-2,2-dimethylhexan-3-yl] carbamate is CC(C)(C)C(CCCNc1ccc(C#N)cn1)OC(N)=O.
What is the InChIKey of [6-[(5-cyano-2-pyridinyl)amino]-2,2-dimethylhexan-3-yl] carbamate?
The InChIKey is IWIKSFCZRVZCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-15(2,3)12(21-14(17)20)5-4-8-18-13-7-6-11(9-16)10-19-13/h6-7,10,12H,4-5,8H2,1-3H3,(H2,17,20)(H,18,19).
What are the key properties of [6-[(5-cyano-2-pyridinyl)amino]-2,2-dimethylhexan-3-yl] carbamate?
[6-[(5-cyano-2-pyridinyl)amino]-2,2-dimethylhexan-3-yl] carbamate has a molecular weight of 290.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5-cyano-2-pyridinyl)amino]-2,2-dimethylhexan-3-yl] carbamate is sourced from PubChem (CID 67218178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).