N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide

C14H20N4O2 — CID 103121080

IUPACN-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide
SMILESCC(O)CNCCNC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H20N4O2/c1-10(19)9-15-7-8-16-14(20)13-11-5-3-4-6-12(11)18(2)17-13/h3-6,10,15,19H,7-9H2,1-2H3,(H,16,20)
InChIKeyIEDGUTPEJSHDKA-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.27
Rot. Bonds6

About N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide

N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide (PubChem CID 103121080) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide
PubChem CID103121080
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide
SMILESCC(O)CNCCNC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H20N4O2/c1-10(19)9-15-7-8-16-14(20)13-11-5-3-4-6-12(11)18(2)17-13/h3-6,10,15,19H,7-9H2,1-2H3,(H,16,20)
InChIKeyIEDGUTPEJSHDKA-UHFFFAOYSA-N
XLogP0.27
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
2-methyl-4-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103117045
N-(3-bromopropyl)-1-methylindazole-3-carboxamide
CID 103119709
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
3-methyl-2-[[(1-methylindazole-3-carbonyl)amino]methyl]butanoic acid
CID 103116907
methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121172
N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 103120182
6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid
CID 103116333
1-methyl-N-pent-4-ynylindazole-3-carboxamide
CID 106223254
3-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116476
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide
CID 103120120

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide (CID 103121080) is N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide is CC(O)CNCCNC(=O)c1nn(C)c2ccccc12.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide?
The InChIKey is IEDGUTPEJSHDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(19)9-15-7-8-16-14(20)13-11-5-3-4-6-12(11)18(2)17-13/h3-6,10,15,19H,7-9H2,1-2H3,(H,16,20).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide?
N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide is sourced from PubChem (CID 103121080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).