2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-propan-2-ylacetamide

C10H13ClFN3O — CID 79727927

IUPAC2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1ncc(Cl)cc1F
InChIInChI=1S/C10H13ClFN3O/c1-6(2)15-9(16)5-14-10-8(12)3-7(11)4-13-10/h3-4,6H,5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyCKZHAPXAWAVUKT-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.81
Rot. Bonds4

About 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-propan-2-ylacetamide

2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-propan-2-ylacetamide (PubChem CID 79727927) has the molecular formula C10H13ClFN3O and a molecular weight of 245.68 g/mol. Its IUPAC name is 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-propan-2-ylacetamide
PubChem CID79727927
Molecular FormulaC10H13ClFN3O
Molecular Weight245.68 g/mol
Exact Mass245.07
IUPAC Name2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1ncc(Cl)cc1F
InChIInChI=1S/C10H13ClFN3O/c1-6(2)15-9(16)5-14-10-8(12)3-7(11)4-13-10/h3-4,6H,5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyCKZHAPXAWAVUKT-UHFFFAOYSA-N
XLogP1.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-3-fluoro-2-pyridinyl)amino]acetamide
CID 79727822
1-N-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 79728261
1-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylpropane-1,2-diamine
CID 79867421
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide
CID 79728652
5-chloro-N-(2,2-difluoropropyl)-3-fluoropyridin-2-amine
CID 130639761
3-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 75377090
5-chloro-3-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130478073
2-(3,5-dichloroanilino)-N-propan-2-ylacetamide
CID 28576141
2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide
CID 86778558
5-chloro-3-fluoro-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 79728229
5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 79728558
5-chloro-3-fluoro-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 115681787

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-propan-2-ylacetamide (CID 79727927) is 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1ncc(Cl)cc1F.
What is the InChIKey of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-propan-2-ylacetamide?
The InChIKey is CKZHAPXAWAVUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O/c1-6(2)15-9(16)5-14-10-8(12)3-7(11)4-13-10/h3-4,6H,5H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-propan-2-ylacetamide?
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-propan-2-ylacetamide has a molecular weight of 245.68 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 79727927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).