N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

C17H25N5O2 — CID 119657033

IUPACN-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCC(NC(=O)c1n[nH]c2ccccc12)C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C17H25N5O2/c1-11(16(24)22(4)10-17(2,3)9-18)19-15(23)14-12-7-5-6-8-13(12)20-21-14/h5-8,11H,9-10,18H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyTYYHIWUDYKWFTC-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.12
Rot. Bonds6

About N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 119657033) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
PubChem CID119657033
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCC(NC(=O)c1n[nH]c2ccccc12)C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C17H25N5O2/c1-11(16(24)22(4)10-17(2,3)9-18)19-15(23)14-12-7-5-6-8-13(12)20-21-14/h5-8,11H,9-10,18H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyTYYHIWUDYKWFTC-UHFFFAOYSA-N
XLogP1.12
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide
CID 78966222
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858431
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide
CID 52768115
N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119509484
ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate
CID 97247416
N-(1-ethoxyethyl)-1H-indazole-3-carboxamide
CID 57149113
N-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide
CID 63889553
2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220058
N-(1-methoxypropan-2-yl)-1H-indazole-3-carboxamide
CID 18161172
N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 119656130

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (CID 119657033) is N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is CC(NC(=O)c1n[nH]c2ccccc12)C(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is TYYHIWUDYKWFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11(16(24)22(4)10-17(2,3)9-18)19-15(23)14-12-7-5-6-8-13(12)20-21-14/h5-8,11H,9-10,18H2,1-4H3,(H,19,23)(H,20,21).
What are the key properties of N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 119657033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).