2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide

C12H18ClN3O — CID 79812641

IUPAC2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1c(C)ccnc1Cl
InChIInChI=1S/C12H18ClN3O/c1-4-12(14,5-2)11(17)16-9-8(3)6-7-15-10(9)13/h6-7H,4-5,14H2,1-3H3,(H,16,17)
InChIKeyPXGQCBMABWNJFP-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.50
Rot. Bonds4

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

2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide (PubChem CID 79812641) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide
PubChem CID79812641
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1c(C)ccnc1Cl
InChIInChI=1S/C12H18ClN3O/c1-4-12(14,5-2)11(17)16-9-8(3)6-7-15-10(9)13/h6-7H,4-5,14H2,1-3H3,(H,16,17)
InChIKeyPXGQCBMABWNJFP-UHFFFAOYSA-N
XLogP2.50
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
CID 79812255
2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide
CID 115432614
ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate
CID 65490501
(2-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
CID 65491474
3-[(2-chloro-4-methyl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 65490498
2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide
CID 79809129
N-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide
CID 65489682
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
CID 82688748
6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide
CID 65490877
2-[2-[(2-chloro-4-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104570056
4-(chloromethyl)-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65489874

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide?
The IUPAC name of 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide (CID 79812641) is 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide is CCC(N)(CC)C(=O)Nc1c(C)ccnc1Cl.
What is the InChIKey of 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide?
The InChIKey is PXGQCBMABWNJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-4-12(14,5-2)11(17)16-9-8(3)6-7-15-10(9)13/h6-7H,4-5,14H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide?
2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide has a molecular weight of 255.75 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide is sourced from PubChem (CID 79812641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).