3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide

C12H18ClN3O — CID 114052264

IUPAC3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C12H18ClN3O/c1-11(2,12(3,4)14)10(17)16-9-7-8(13)5-6-15-9/h5-7H,14H2,1-4H3,(H,15,16,17)
InChIKeyNMAYFCGQAKKETC-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.44
Rot. Bonds3

About 3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide

3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide (PubChem CID 114052264) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide
PubChem CID114052264
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C12H18ClN3O/c1-11(2,12(3,4)14)10(17)16-9-7-8(13)5-6-15-9/h5-7H,14H2,1-4H3,(H,15,16,17)
InChIKeyNMAYFCGQAKKETC-UHFFFAOYSA-N
XLogP2.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968525
3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide
CID 79240943
1-(4-tert-butylphenyl)-3-(4-chloro-2-pyridinyl)urea
CID 108884932
N-(4-chloro-2-pyridinyl)-2-hydroxyacetamide
CID 83768276
N-(4-chloro-2-pyridinyl)-2-methylbutanamide
CID 115626778
1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
CID 108894678
methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-chlorobenzoate
CID 65264248
1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea
CID 108866515
N-(4-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 115626697
N-(4-chloro-2-pyridinyl)-3-(dimethylamino)propanamide
CID 130770747
3-chloro-N-(4-chloro-2-pyridinyl)-4-methylthiophene-2-carboxamide
CID 103407346
5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide
CID 113236117

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide (CID 114052264) is 3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide is CC(C)(N)C(C)(C)C(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of 3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide?
The InChIKey is NMAYFCGQAKKETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-11(2,12(3,4)14)10(17)16-9-7-8(13)5-6-15-9/h5-7H,14H2,1-4H3,(H,15,16,17).
What are the key properties of 3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide?
3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide has a molecular weight of 255.75 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide is sourced from PubChem (CID 114052264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).