N-(1-amino-2,4-dimethylpentan-2-yl)-1H-indole-5-carboxamide

C16H23N3O — CID 115309725

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1H-indole-5-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H23N3O/c1-11(2)9-16(3,10-17)19-15(20)13-4-5-14-12(8-13)6-7-18-14/h4-8,11,18H,9-10,17H2,1-3H3,(H,19,20)
InChIKeyCFCMJZORQGUOQR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.66
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-1H-indole-5-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-1H-indole-5-carboxamide (PubChem CID 115309725) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1H-indole-5-carboxamide
PubChem CID115309725
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1H-indole-5-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H23N3O/c1-11(2)9-16(3,10-17)19-15(20)13-4-5-14-12(8-13)6-7-18-14/h4-8,11,18H,9-10,17H2,1-3H3,(H,19,20)
InChIKeyCFCMJZORQGUOQR-UHFFFAOYSA-N
XLogP2.66
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-1H-indole-5-carboxamide
CID 55231181
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide
CID 107846667
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-3-fluorobenzamide;hydrochloride
CID 119597808
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119598585
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 81487072
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 119600077
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbenzamide;hydrochloride
CID 119597507
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide
CID 81486139
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide
CID 63718611

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1H-indole-5-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1H-indole-5-carboxamide (CID 115309725) is N-(1-amino-2,4-dimethylpentan-2-yl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1H-indole-5-carboxamide is CC(C)CC(C)(CN)NC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1H-indole-5-carboxamide?
The InChIKey is CFCMJZORQGUOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)9-16(3,10-17)19-15(20)13-4-5-14-12(8-13)6-7-18-14/h4-8,11,18H,9-10,17H2,1-3H3,(H,19,20).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1H-indole-5-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-1H-indole-5-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-1H-indole-5-carboxamide is sourced from PubChem (CID 115309725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).