6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide

C13H20ClN3O — CID 65490877

IUPAC6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide
SMILESCc1ccnc(Cl)c1NC(=O)CCC(C)CCN
InChIInChI=1S/C13H20ClN3O/c1-9(5-7-15)3-4-11(18)17-12-10(2)6-8-16-13(12)14/h6,8-9H,3-5,7,15H2,1-2H3,(H,17,18)
InChIKeyGRNGPRUCRLQBKF-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.75
Rot. Bonds6

About 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide

6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide (PubChem CID 65490877) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide.

Molecular Properties

Compound Name6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide
PubChem CID65490877
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide
SMILESCc1ccnc(Cl)c1NC(=O)CCC(C)CCN
InChIInChI=1S/C13H20ClN3O/c1-9(5-7-15)3-4-11(18)17-12-10(2)6-8-16-13(12)14/h6,8-9H,3-5,7,15H2,1-2H3,(H,17,18)
InChIKeyGRNGPRUCRLQBKF-UHFFFAOYSA-N
XLogP2.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.75
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

5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
CID 82688748
N-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide
CID 65489682
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-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate
CID 65490501
2-[2-[(2-chloro-4-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104570056
1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide
CID 107499014
2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide
CID 79812641
2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide
CID 115432614
6-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylhexanamide
CID 114932264
6-amino-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide
CID 104619007

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide?
The IUPAC name of 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide (CID 65490877) is 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide.
What is the SMILES notation for 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide?
The canonical SMILES for 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide is Cc1ccnc(Cl)c1NC(=O)CCC(C)CCN.
What is the InChIKey of 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide?
The InChIKey is GRNGPRUCRLQBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9(5-7-15)3-4-11(18)17-12-10(2)6-8-16-13(12)14/h6,8-9H,3-5,7,15H2,1-2H3,(H,17,18).
What are the key properties of 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide?
6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide has a molecular weight of 269.78 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide is sourced from PubChem (CID 65490877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).