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

C12H18ClN3O — CID 65491474

IUPAC4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
SMILESCc1ccnc(Cl)c1NC(=O)CCC(C)(C)N
InChIInChI=1S/C12H18ClN3O/c1-8-5-7-15-11(13)10(8)16-9(17)4-6-12(2,3)14/h5,7H,4,6,14H2,1-3H3,(H,16,17)
InChIKeyMHBUPAJXFBRNGW-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.50
Rot. Bonds4

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

4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide (PubChem CID 65491474) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
PubChem CID65491474
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
SMILESCc1ccnc(Cl)c1NC(=O)CCC(C)(C)N
InChIInChI=1S/C12H18ClN3O/c1-8-5-7-15-11(13)10(8)16-9(17)4-6-12(2,3)14/h5,7H,4,6,14H2,1-3H3,(H,16,17)
InChIKeyMHBUPAJXFBRNGW-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

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
3-[(2-chloro-4-methyl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 65490498
2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
CID 79812255
6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide
CID 65490877
2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide
CID 79812641
(2-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide
CID 115432614
4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide
CID 103811545
ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate
CID 65490501
4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide
CID 82819149
2-[2-[(2-chloro-4-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104570056

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide?
The IUPAC name of 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide (CID 65491474) is 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide?
The canonical SMILES for 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide is Cc1ccnc(Cl)c1NC(=O)CCC(C)(C)N.
What is the InChIKey of 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide?
The InChIKey is MHBUPAJXFBRNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8-5-7-15-11(13)10(8)16-9(17)4-6-12(2,3)14/h5,7H,4,6,14H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide?
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide 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 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide is sourced from PubChem (CID 65491474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).