N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide

C14H20N4O2 — CID 106152679

IUPACN-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide
SMILESCOCC(CCN)NC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H20N4O2/c1-18-12-6-4-3-5-11(12)13(17-18)14(19)16-10(7-8-15)9-20-2/h3-6,10H,7-9,15H2,1-2H3,(H,16,19)
InChIKeyHPYYFVYUJBNVCS-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.67
Rot. Bonds6

About N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide

N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide (PubChem CID 106152679) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide
PubChem CID106152679
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide
SMILESCOCC(CCN)NC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H20N4O2/c1-18-12-6-4-3-5-11(12)13(17-18)14(19)16-10(7-8-15)9-20-2/h3-6,10H,7-9,15H2,1-2H3,(H,16,19)
InChIKeyHPYYFVYUJBNVCS-UHFFFAOYSA-N
XLogP0.67
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide
CID 103123150
methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121157
N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 103120182
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide
CID 103120120
N-decan-3-yl-1-methylindazole-3-carboxamide
CID 67866590
3-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116476
N-(4-amino-1-methoxybutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 106152676
(2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid
CID 107564755
(2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 107821571
4-methoxy-1-(1-methylindazol-3-yl)butan-1-one
CID 103125569
5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one
CID 112754729

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide?
The IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide (CID 106152679) is N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide is COCC(CCN)NC(=O)c1nn(C)c2ccccc12.
What is the InChIKey of N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide?
The InChIKey is HPYYFVYUJBNVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-18-12-6-4-3-5-11(12)13(17-18)14(19)16-10(7-8-15)9-20-2/h3-6,10H,7-9,15H2,1-2H3,(H,16,19).
What are the key properties of N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide?
N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide is sourced from PubChem (CID 106152679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).