2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide

C12H16N4O — CID 65224950

IUPAC2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide
SMILESCCC(CN)C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C12H16N4O/c1-2-8(6-13)12(17)15-10-3-4-11-9(5-10)7-14-16-11/h3-5,7-8H,2,6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyXQDSRAPZKBDURD-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.49
Rot. Bonds4

About 2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide

2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide (PubChem CID 65224950) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide
PubChem CID65224950
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide
SMILESCCC(CN)C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C12H16N4O/c1-2-8(6-13)12(17)15-10-3-4-11-9(5-10)7-14-16-11/h3-5,7-8H,2,6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyXQDSRAPZKBDURD-UHFFFAOYSA-N
XLogP1.49
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(1H-indazol-5-yl)butanamide
CID 17164523
2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide
CID 43704662
2-bromo-N-(1H-indazol-5-yl)-3-methylbutanamide
CID 43698098
6-amino-N-(1H-indazol-5-yl)-2-methylheptanamide
CID 65290989
2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide
CID 115186850
5-ethyl-N-(1H-indazol-5-yl)thiophene-3-carboxamide
CID 6467092
[(2S)-6-amino-1-(1H-indazol-5-ylamino)-1-oxohexan-2-yl]carbamic acid
CID 90892202
(2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 82963463
2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide
CID 43698093
2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 65225572
2-hydroxyethyl N-(1H-indazol-5-yl)carbamate
CID 79346712
3-chloro-N-(1H-indazol-5-yl)propanamide
CID 17164503

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide (CID 65224950) is 2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide is CCC(CN)C(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide?
The InChIKey is XQDSRAPZKBDURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-8(6-13)12(17)15-10-3-4-11-9(5-10)7-14-16-11/h3-5,7-8H,2,6,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide?
2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide has a molecular weight of 232.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide is sourced from PubChem (CID 65224950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).