N-[(3S)-3-(2-methylindazol-4-yl)pentyl]propanamide

C16H23N3O — CID 70923709

IUPACN-[(3S)-3-(2-methylindazol-4-yl)pentyl]propanamide
SMILESCCC(=O)NCC[C@H](CC)c1cccc2nn(C)cc12
InChIInChI=1S/C16H23N3O/c1-4-12(9-10-17-16(20)5-2)13-7-6-8-15-14(13)11-19(3)18-15/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyHNAZNHAHRVPZLN-LBPRGKRZSA-N
MW273.38 g/mol
LogP2.98
Rot. Bonds6

About N-[(3S)-3-(2-methylindazol-4-yl)pentyl]propanamide

N-[(3S)-3-(2-methylindazol-4-yl)pentyl]propanamide (PubChem CID 70923709) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(3S)-3-(2-methylindazol-4-yl)pentyl]propanamide.

Molecular Properties

Compound NameN-[(3S)-3-(2-methylindazol-4-yl)pentyl]propanamide
PubChem CID70923709
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(3S)-3-(2-methylindazol-4-yl)pentyl]propanamide
SMILESCCC(=O)NCC[C@H](CC)c1cccc2nn(C)cc12
InChIInChI=1S/C16H23N3O/c1-4-12(9-10-17-16(20)5-2)13-7-6-8-15-14(13)11-19(3)18-15/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyHNAZNHAHRVPZLN-LBPRGKRZSA-N
XLogP2.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(2-methylindazol-4-yl)pentyl]propanamide?
The IUPAC name of N-[(3S)-3-(2-methylindazol-4-yl)pentyl]propanamide (CID 70923709) is N-[(3S)-3-(2-methylindazol-4-yl)pentyl]propanamide.
What is the SMILES notation for N-[(3S)-3-(2-methylindazol-4-yl)pentyl]propanamide?
The canonical SMILES for N-[(3S)-3-(2-methylindazol-4-yl)pentyl]propanamide is CCC(=O)NCC[C@H](CC)c1cccc2nn(C)cc12.
What is the InChIKey of N-[(3S)-3-(2-methylindazol-4-yl)pentyl]propanamide?
The InChIKey is HNAZNHAHRVPZLN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-12(9-10-17-16(20)5-2)13-7-6-8-15-14(13)11-19(3)18-15/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,17,20)/t12-/m0/s1.
What are the key properties of N-[(3S)-3-(2-methylindazol-4-yl)pentyl]propanamide?
N-[(3S)-3-(2-methylindazol-4-yl)pentyl]propanamide has a molecular weight of 273.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(2-methylindazol-4-yl)pentyl]propanamide is sourced from PubChem (CID 70923709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).