2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide

C10H14ClN3O — CID 43402545

IUPAC2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ncccc1Cl
InChIInChI=1S/C10H14ClN3O/c1-2-5-12-9(15)7-14-10-8(11)4-3-6-13-10/h3-4,6H,2,5,7H2,1H3,(H,12,15)(H,13,14)
InChIKeyQRHDHNPFBPHDOA-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.67
Rot. Bonds5

About 2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide

2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide (PubChem CID 43402545) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide
PubChem CID43402545
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ncccc1Cl
InChIInChI=1S/C10H14ClN3O/c1-2-5-12-9(15)7-14-10-8(11)4-3-6-13-10/h3-4,6H,2,5,7H2,1H3,(H,12,15)(H,13,14)
InChIKeyQRHDHNPFBPHDOA-UHFFFAOYSA-N
XLogP1.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 115575489
1-(3-chloro-2-pyridinyl)-3-propylurea
CID 103886211
N-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide
CID 115279391
2-[(3-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-N-propylacetamide
CID 133383079
2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-propylacetamide
CID 133383039
2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide
CID 112685108
N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide
CID 102750399
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
CID 102756189
3-chloro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617517
2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride
CID 115614180
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide
CID 63023413
2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide
CID 79075450

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide (CID 43402545) is 2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide is CCCNC(=O)CNc1ncccc1Cl.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide?
The InChIKey is QRHDHNPFBPHDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-2-5-12-9(15)7-14-10-8(11)4-3-6-13-10/h3-4,6H,2,5,7H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide?
2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide has a molecular weight of 227.69 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide is sourced from PubChem (CID 43402545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).