N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide

C15H20N4O2 — CID 115605737

IUPACN-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
SMILESCC(C)CNC(=O)CCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C15H20N4O2/c1-10(2)9-17-13(20)7-8-16-15(21)14-11-5-3-4-6-12(11)18-19-14/h3-6,10H,7-9H2,1-2H3,(H,16,21)(H,17,20)(H,18,19)
InChIKeyJLIHZUVSPSOHFK-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.46
Rot. Bonds6

About N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide

N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide (PubChem CID 115605737) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
PubChem CID115605737
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
SMILESCC(C)CNC(=O)CCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C15H20N4O2/c1-10(2)9-17-13(20)7-8-16-15(21)14-11-5-3-4-6-12(11)18-19-14/h3-6,10H,7-9H2,1-2H3,(H,16,21)(H,17,20)(H,18,19)
InChIKeyJLIHZUVSPSOHFK-UHFFFAOYSA-N
XLogP1.46
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 170858789
N-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide
CID 99433492
N-[3-(diethylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 61149810
4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119357288
N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide
CID 113322050
N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide
CID 78966222
N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide
CID 99434343
N-[3-oxo-3-(1-thiophen-2-ylpropylamino)propyl]-1H-indazole-3-carboxamide
CID 170858637
2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220058
N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 99433632

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide (CID 115605737) is N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide is CC(C)CNC(=O)CCNC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide?
The InChIKey is JLIHZUVSPSOHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)9-17-13(20)7-8-16-15(21)14-11-5-3-4-6-12(11)18-19-14/h3-6,10H,7-9H2,1-2H3,(H,16,21)(H,17,20)(H,18,19).
What are the key properties of N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide?
N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 115605737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).