N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(cyclohexylmethyl)indazole-3-carboxamide

C21H30N4O2 — CID 74951471

IUPACN-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(cyclohexylmethyl)indazole-3-carboxamide
SMILESCC(C)CC(NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(N)=O
InChIInChI=1S/C21H30N4O2/c1-14(2)12-17(20(22)26)23-21(27)19-16-10-6-7-11-18(16)25(24-19)13-15-8-4-3-5-9-15/h6-7,10-11,14-15,17H,3-5,8-9,12-13H2,1-2H3,(H2,22,26)(H,23,27)
InChIKeyXTVQFBGQQMRXLW-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.25
Rot. Bonds7

About N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(cyclohexylmethyl)indazole-3-carboxamide

N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(cyclohexylmethyl)indazole-3-carboxamide (PubChem CID 74951471) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(cyclohexylmethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(cyclohexylmethyl)indazole-3-carboxamide
PubChem CID74951471
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(cyclohexylmethyl)indazole-3-carboxamide
SMILESCC(C)CC(NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(N)=O
InChIInChI=1S/C21H30N4O2/c1-14(2)12-17(20(22)26)23-21(27)19-16-10-6-7-11-18(16)25(24-19)13-15-8-4-3-5-9-15/h6-7,10-11,14-15,17H,3-5,8-9,12-13H2,1-2H3,(H2,22,26)(H,23,27)
InChIKeyXTVQFBGQQMRXLW-UHFFFAOYSA-N
XLogP3.25
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide
CID 121491668
(2R,3R)-4-amino-3-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2-methyl-4-oxobutanoic acid
CID 125181267
(2S,3R)-2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanedioic acid
CID 125181319
1-(cyclohexylmethyl)-N-[1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]indazole-3-carboxamide
CID 70969654
ethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate
CID 70969672
1-[(4,4-difluorocyclohexyl)methyl]-N-(3,3-dimethylbutan-2-yl)indazole-3-carboxamide
CID 143855601
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
CID 58124712
3,3-dimethyl-2-[[1-(oxan-4-ylmethyl)indazole-3-carbonyl]amino]butanoic acid
CID 70969926
1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide
CID 167312295
1-[(4,4-difluorocyclohexyl)methyl]-N-[1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide
CID 70969737
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-[[(2R)-5-oxooxolan-2-yl]methyl]indazole-3-carboxamide
CID 143855367
N-(2-amino-1-cyclohexylethyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 119591581

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(cyclohexylmethyl)indazole-3-carboxamide?
The IUPAC name of N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(cyclohexylmethyl)indazole-3-carboxamide (CID 74951471) is N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(cyclohexylmethyl)indazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(cyclohexylmethyl)indazole-3-carboxamide?
The canonical SMILES for N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(cyclohexylmethyl)indazole-3-carboxamide is CC(C)CC(NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(N)=O.
What is the InChIKey of N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(cyclohexylmethyl)indazole-3-carboxamide?
The InChIKey is XTVQFBGQQMRXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-14(2)12-17(20(22)26)23-21(27)19-16-10-6-7-11-18(16)25(24-19)13-15-8-4-3-5-9-15/h6-7,10-11,14-15,17H,3-5,8-9,12-13H2,1-2H3,(H2,22,26)(H,23,27).
What are the key properties of N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(cyclohexylmethyl)indazole-3-carboxamide?
N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(cyclohexylmethyl)indazole-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(cyclohexylmethyl)indazole-3-carboxamide is sourced from PubChem (CID 74951471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).