N-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide

C14H20N4O — CID 63889553

IUPACN-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H20N4O/c1-3-14(4-2,9-15)16-13(19)12-10-7-5-6-8-11(10)17-18-12/h5-8H,3-4,9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyULBKAFNFVKCKCQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.81
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide (PubChem CID 63889553) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide
PubChem CID63889553
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H20N4O/c1-3-14(4-2,9-15)16-13(19)12-10-7-5-6-8-11(10)17-18-12/h5-8H,3-4,9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyULBKAFNFVKCKCQ-UHFFFAOYSA-N
XLogP1.81
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylpent-1-yn-3-yl)-1H-indazole-3-carboxamide
CID 18225967
3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid
CID 64671096
5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide
CID 62523247
2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid
CID 115429770
N-methoxy-1H-indazole-3-carboxamide
CID 60722689
2-(1H-indazole-3-carbonylamino)-2-methyloctanoic acid
CID 170858371
N-(4-aminobutyl)-1H-indazole-3-carboxamide
CID 64982743
N-[(1-methylcyclobutyl)methyl]-1H-indazole-3-carboxamide
CID 103737418
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-(2-phenylbutyl)-1H-indazole-3-carboxamide
CID 42888594
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide (CID 63889553) is N-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide is CCC(CC)(CN)NC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide?
The InChIKey is ULBKAFNFVKCKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-14(4-2,9-15)16-13(19)12-10-7-5-6-8-11(10)17-18-12/h5-8H,3-4,9,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 63889553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).