5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide

C12H17ClN2O2 — CID 62994356

IUPAC5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
SMILESCOc1cc(CNC(=O)CCCCCl)ccn1
InChIInChI=1S/C12H17ClN2O2/c1-17-12-8-10(5-7-14-12)9-15-11(16)4-2-3-6-13/h5,7-8H,2-4,6,9H2,1H3,(H,15,16)
InChIKeyDAFPJMBEQKSLEV-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.12
Rot. Bonds7

About 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide

5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide (PubChem CID 62994356) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
PubChem CID62994356
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
SMILESCOc1cc(CNC(=O)CCCCCl)ccn1
InChIInChI=1S/C12H17ClN2O2/c1-17-12-8-10(5-7-14-12)9-15-11(16)4-2-3-6-13/h5,7-8H,2-4,6,9H2,1H3,(H,15,16)
InChIKeyDAFPJMBEQKSLEV-UHFFFAOYSA-N
XLogP2.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
3-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 18167253
N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide
CID 172903796
2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide
CID 55140170
5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide
CID 82012306
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide
CID 87005868
3-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 86919796
3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 18155598
2-(4-methoxyphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 47019682
2-(2,6-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167318
N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide
CID 62995403
(E)-4-[(2-methoxy-4-pyridinyl)methylamino]-4-oxobut-2-enoic acid
CID 55141133

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide?
The IUPAC name of 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide (CID 62994356) is 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide?
The canonical SMILES for 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide is COc1cc(CNC(=O)CCCCCl)ccn1.
What is the InChIKey of 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide?
The InChIKey is DAFPJMBEQKSLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-17-12-8-10(5-7-14-12)9-15-11(16)4-2-3-6-13/h5,7-8H,2-4,6,9H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide?
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide has a molecular weight of 256.73 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide is sourced from PubChem (CID 62994356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).