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

C12H18ClN3O — CID 82688748

IUPAC5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
SMILESCc1ccnc(Cl)c1NC(=O)CCC(C)CN
InChIInChI=1S/C12H18ClN3O/c1-8(7-14)3-4-10(17)16-11-9(2)5-6-15-12(11)13/h5-6,8H,3-4,7,14H2,1-2H3,(H,16,17)
InChIKeyFHJQJWOLZDLQCX-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.36
Rot. Bonds5

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

5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide (PubChem CID 82688748) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
PubChem CID82688748
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
SMILESCc1ccnc(Cl)c1NC(=O)CCC(C)CN
InChIInChI=1S/C12H18ClN3O/c1-8(7-14)3-4-10(17)16-11-9(2)5-6-15-12(11)13/h5-6,8H,3-4,7,14H2,1-2H3,(H,16,17)
InChIKeyFHJQJWOLZDLQCX-UHFFFAOYSA-N
XLogP2.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.36
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

6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide
CID 65490877
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
5-amino-N-(3-chloro-4-methylphenyl)-4-methylpentanamide
CID 82683230
2-[2-[(2-chloro-4-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104570056
2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide
CID 79812641
5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 82689437
2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide
CID 115432614
2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
CID 79812255

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide?
The IUPAC name of 5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide (CID 82688748) is 5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide?
The canonical SMILES for 5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide is Cc1ccnc(Cl)c1NC(=O)CCC(C)CN.
What is the InChIKey of 5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide?
The InChIKey is FHJQJWOLZDLQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8(7-14)3-4-10(17)16-11-9(2)5-6-15-12(11)13/h5-6,8H,3-4,7,14H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide?
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide has a molecular weight of 255.75 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide is sourced from PubChem (CID 82688748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).