3-(tert-butylamino)-N-(1H-indazol-4-yl)propanamide

C14H20N4O — CID 54863202

IUPAC3-(tert-butylamino)-N-(1H-indazol-4-yl)propanamide
SMILESCC(C)(C)NCCC(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C14H20N4O/c1-14(2,3)15-8-7-13(19)17-11-5-4-6-12-10(11)9-16-18-12/h4-6,9,15H,7-8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyAQNITHPUHRTRGS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.28
Rot. Bonds4

About 3-(tert-butylamino)-N-(1H-indazol-4-yl)propanamide

3-(tert-butylamino)-N-(1H-indazol-4-yl)propanamide (PubChem CID 54863202) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(1H-indazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(1H-indazol-4-yl)propanamide
PubChem CID54863202
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-(tert-butylamino)-N-(1H-indazol-4-yl)propanamide
SMILESCC(C)(C)NCCC(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C14H20N4O/c1-14(2,3)15-8-7-13(19)17-11-5-4-6-12-10(11)9-16-18-12/h4-6,9,15H,7-8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyAQNITHPUHRTRGS-UHFFFAOYSA-N
XLogP2.28
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(dimethylamino)-N-(1H-indazol-4-yl)propanamide
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2-(dimethylamino)-N-(1H-indazol-4-yl)acetamide
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2-amino-N-(1H-indazol-4-yl)-3,3-dimethylbutanamide
CID 76887328
2-(2-aminophenyl)-N-(1H-indazol-4-yl)acetamide
CID 61117193
(E)-N-(1H-indazol-4-yl)but-2-enamide
CID 110470186
1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60933243
3-(tert-butylamino)-N-(1H-pyrazol-5-yl)propanamide
CID 61394138
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CID 130664762

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(1H-indazol-4-yl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(1H-indazol-4-yl)propanamide (CID 54863202) is 3-(tert-butylamino)-N-(1H-indazol-4-yl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(1H-indazol-4-yl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(1H-indazol-4-yl)propanamide is CC(C)(C)NCCC(=O)Nc1cccc2[nH]ncc12.
What is the InChIKey of 3-(tert-butylamino)-N-(1H-indazol-4-yl)propanamide?
The InChIKey is AQNITHPUHRTRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-14(2,3)15-8-7-13(19)17-11-5-4-6-12-10(11)9-16-18-12/h4-6,9,15H,7-8H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 3-(tert-butylamino)-N-(1H-indazol-4-yl)propanamide?
3-(tert-butylamino)-N-(1H-indazol-4-yl)propanamide has a molecular weight of 260.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(1H-indazol-4-yl)propanamide is sourced from PubChem (CID 54863202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).