2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide

C13H18N4O — CID 43704662

IUPAC2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C13H18N4O/c1-8(2)5-11(14)13(18)16-10-3-4-12-9(6-10)7-15-17-12/h3-4,6-8,11H,5,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyDYSAPCXFXDMUMB-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.87
Rot. Bonds4

About 2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide

2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide (PubChem CID 43704662) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide
PubChem CID43704662
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C13H18N4O/c1-8(2)5-11(14)13(18)16-10-3-4-12-9(6-10)7-15-17-12/h3-4,6-8,11H,5,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyDYSAPCXFXDMUMB-UHFFFAOYSA-N
XLogP1.87
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(1H-indazol-5-yl)-2-methylheptanamide
CID 65290989
2-bromo-N-(1H-indazol-5-yl)-3-methylbutanamide
CID 43698098
2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide
CID 65224950
(2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 82963463
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
(2R)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide
CID 104903779
(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide
CID 14310136
(2R)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
CID 104902766
(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 61179187
(2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
CID 61179447
(2R)-2-amino-4-methyl-N-(1H-pyrazol-4-yl)pentanamide
CID 83618000
(2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide
CID 61179769

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide?
The IUPAC name of 2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide (CID 43704662) is 2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide?
The canonical SMILES for 2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide is CC(C)CC(N)C(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide?
The InChIKey is DYSAPCXFXDMUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8(2)5-11(14)13(18)16-10-3-4-12-9(6-10)7-15-17-12/h3-4,6-8,11H,5,14H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide?
2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide has a molecular weight of 246.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide is sourced from PubChem (CID 43704662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).