2-amino-3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pentanamide;hydrochloride

C19H24ClN5O2 — CID 119722869

IUPAC2-amino-3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1.Cl
InChIInChI=1S/C19H23N5O2.ClH/c1-3-13(2)17(20)18(25)21-15-8-6-7-14(11-15)12-24-19(26)23-10-5-4-9-16(23)22-24;/h4-11,13,17H,3,12,20H2,1-2H3,(H,21,25);1H
InChIKeyACNMCFKOKXJRAL-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.28
Rot. Bonds6

About 2-amino-3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pentanamide;hydrochloride

2-amino-3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pentanamide;hydrochloride (PubChem CID 119722869) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pentanamide;hydrochloride
PubChem CID119722869
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Name2-amino-3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1.Cl
InChIInChI=1S/C19H23N5O2.ClH/c1-3-13(2)17(20)18(25)21-15-8-6-7-14(11-15)12-24-19(26)23-10-5-4-9-16(23)22-24;/h4-11,13,17H,3,12,20H2,1-2H3,(H,21,25);1H
InChIKeyACNMCFKOKXJRAL-UHFFFAOYSA-N
XLogP2.28
TPSA94.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-2-phenylmethoxypropanamide
CID 55762938
2-benzylsulfanyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide
CID 55777652
4-amino-3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]butanamide;hydrochloride
CID 120588772
2-methyl-N-[4-[[[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]carbamoylamino]methyl]phenyl]propanamide
CID 112829780
(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61172469
2-(4-chlorophenyl)sulfanyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide
CID 55703123
ethyl 2-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]anilino]acetate
CID 119050040
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]urea
CID 86943665
4-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-propan-2-ylphthalazine-1-carboxamide
CID 55763020
(E)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-phenylbut-2-enamide
CID 98864202
N-[1-oxo-1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]anilino]-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55837855
3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]naphthalene-2-carboxamide
CID 42960917

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pentanamide;hydrochloride (CID 119722869) is 2-amino-3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pentanamide;hydrochloride is CCC(C)C(N)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pentanamide;hydrochloride?
The InChIKey is ACNMCFKOKXJRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2.ClH/c1-3-13(2)17(20)18(25)21-15-8-6-7-14(11-15)12-24-19(26)23-10-5-4-9-16(23)22-24;/h4-11,13,17H,3,12,20H2,1-2H3,(H,21,25);1H.
What are the key properties of 2-amino-3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pentanamide;hydrochloride?
2-amino-3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pentanamide;hydrochloride has a molecular weight of 389.89 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 119722869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).