N-(3-chloro-2-pyridinyl)-3-methoxypropanamide

C9H11ClN2O2 — CID 75448204

IUPACN-(3-chloro-2-pyridinyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1ncccc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-14-6-4-8(13)12-9-7(10)3-2-5-11-9/h2-3,5H,4,6H2,1H3,(H,11,12,13)
InChIKeyQYDBNFUOTBCYGT-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.71
Rot. Bonds4

About N-(3-chloro-2-pyridinyl)-3-methoxypropanamide

N-(3-chloro-2-pyridinyl)-3-methoxypropanamide (PubChem CID 75448204) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-3-methoxypropanamide
PubChem CID75448204
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC NameN-(3-chloro-2-pyridinyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1ncccc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-14-6-4-8(13)12-9-7(10)3-2-5-11-9/h2-3,5H,4,6H2,1H3,(H,11,12,13)
InChIKeyQYDBNFUOTBCYGT-UHFFFAOYSA-N
XLogP1.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493
2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 115575489
N-(3-chloro-2-pyridinyl)-2-phenylacetamide
CID 903998
N-(3-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 103892864
3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide
CID 103094172
N-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide
CID 75498742
2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 113407922
N-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 103094459
N-(3-chloro-2-pyridinyl)-2-phenylsulfanylacetamide
CID 103893032
2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 18129652
ethyl N-[(3-chloro-2-pyridinyl)carbamothioyl]carbamate
CID 154638035
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-3-methoxypropanamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-3-methoxypropanamide (CID 75448204) is N-(3-chloro-2-pyridinyl)-3-methoxypropanamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-3-methoxypropanamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-3-methoxypropanamide is COCCC(=O)Nc1ncccc1Cl.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-3-methoxypropanamide?
The InChIKey is QYDBNFUOTBCYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-14-6-4-8(13)12-9-7(10)3-2-5-11-9/h2-3,5H,4,6H2,1H3,(H,11,12,13).
What are the key properties of N-(3-chloro-2-pyridinyl)-3-methoxypropanamide?
N-(3-chloro-2-pyridinyl)-3-methoxypropanamide has a molecular weight of 214.65 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-3-methoxypropanamide is sourced from PubChem (CID 75448204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).