2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-5-methoxypentanamide

C12H18ClN3O2 — CID 81102079

IUPAC2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1c(C)ccnc1Cl
InChIInChI=1S/C12H18ClN3O2/c1-8-5-6-15-11(13)10(8)16-12(17)9(14)4-3-7-18-2/h5-6,9H,3-4,7,14H2,1-2H3,(H,16,17)
InChIKeyXCQRXYSDVJOJLF-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.74
Rot. Bonds6

About 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-5-methoxypentanamide

2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-5-methoxypentanamide (PubChem CID 81102079) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-5-methoxypentanamide
PubChem CID81102079
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1c(C)ccnc1Cl
InChIInChI=1S/C12H18ClN3O2/c1-8-5-6-15-11(13)10(8)16-12(17)9(14)4-3-7-18-2/h5-6,9H,3-4,7,14H2,1-2H3,(H,16,17)
InChIKeyXCQRXYSDVJOJLF-UHFFFAOYSA-N
XLogP1.74
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2,5-dichloro-4-methylphenyl)-5-methoxypentanamide
CID 104727023
2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide
CID 81080952
ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate
CID 65490501
(2-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide
CID 81071022
2-amino-N-(2-chloropyrimidin-4-yl)-4-methoxybutanamide
CID 116795128
methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate
CID 81071019
2-amino-N-(2,6-dichlorophenyl)-4-methoxybutanamide
CID 65467824
2-amino-N-(4-ethoxy-2-methylphenyl)-5-methoxypentanamide
CID 81082492
2-amino-5-methoxy-N-pyrimidin-5-ylpentanamide
CID 107588458
2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
CID 81089431
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
CID 82688748

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-5-methoxypentanamide?
The IUPAC name of 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-5-methoxypentanamide (CID 81102079) is 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-5-methoxypentanamide is COCCCC(N)C(=O)Nc1c(C)ccnc1Cl.
What is the InChIKey of 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-5-methoxypentanamide?
The InChIKey is XCQRXYSDVJOJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-8-5-6-15-11(13)10(8)16-12(17)9(14)4-3-7-18-2/h5-6,9H,3-4,7,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-5-methoxypentanamide?
2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-5-methoxypentanamide has a molecular weight of 271.75 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-5-methoxypentanamide is sourced from PubChem (CID 81102079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).