N-(4-chloro-2-pyridinyl)-2-methylbutanamide

C10H13ClN2O — CID 115626778

IUPACN-(4-chloro-2-pyridinyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C10H13ClN2O/c1-3-7(2)10(14)13-9-6-8(11)4-5-12-9/h4-7H,3H2,1-2H3,(H,12,13,14)
InChIKeyLJTMPTGKZJTQDV-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.72
Rot. Bonds3

About N-(4-chloro-2-pyridinyl)-2-methylbutanamide

N-(4-chloro-2-pyridinyl)-2-methylbutanamide (PubChem CID 115626778) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-2-methylbutanamide
PubChem CID115626778
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC NameN-(4-chloro-2-pyridinyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C10H13ClN2O/c1-3-7(2)10(14)13-9-6-8(11)4-5-12-9/h4-7H,3H2,1-2H3,(H,12,13,14)
InChIKeyLJTMPTGKZJTQDV-UHFFFAOYSA-N
XLogP2.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-pyridinyl)-3-methylpentanamide
CID 114877777
methyl N-[(2S)-1-[(4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate
CID 75393221
N-(4-chloro-2-pyridinyl)-2-hydroxyacetamide
CID 83768276
2-amino-N-(4-chloro-2-pyridinyl)-4-methylsulfonylbutanamide
CID 114052256
N-(2-bromo-5-chlorophenyl)-2-methylbutanamide
CID 81271698
N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide
CID 115626770
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
N-(4-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 115626697
N-(4-chloro-2-pyridinyl)-3-(dimethylamino)propanamide
CID 130770747
2-ethyl-N-(4-methyl-2-pyridinyl)butanamide
CID 849589
N-(4-chloro-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968525
N-(4-chloro-2-pyridinyl)-4-ethoxybenzamide
CID 115626710

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-2-methylbutanamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-2-methylbutanamide (CID 115626778) is N-(4-chloro-2-pyridinyl)-2-methylbutanamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-2-methylbutanamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-2-methylbutanamide is CCC(C)C(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-2-methylbutanamide?
The InChIKey is LJTMPTGKZJTQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-3-7(2)10(14)13-9-6-8(11)4-5-12-9/h4-7H,3H2,1-2H3,(H,12,13,14).
What are the key properties of N-(4-chloro-2-pyridinyl)-2-methylbutanamide?
N-(4-chloro-2-pyridinyl)-2-methylbutanamide has a molecular weight of 212.68 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-2-methylbutanamide is sourced from PubChem (CID 115626778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).