2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide

C19H23ClN2O2 — CID 129054347

IUPAC2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Cl)nc(OCc2ccccc2)c1
InChIInChI=1S/C19H23ClN2O2/c1-3-10-22(11-4-2)19(23)16-12-17(20)21-18(13-16)24-14-15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3
InChIKeyCZQVEVAQHSUREB-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.58
Rot. Bonds8

About 2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide

2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide (PubChem CID 129054347) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide
PubChem CID129054347
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Cl)nc(OCc2ccccc2)c1
InChIInChI=1S/C19H23ClN2O2/c1-3-10-22(11-4-2)19(23)16-12-17(20)21-18(13-16)24-14-15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3
InChIKeyCZQVEVAQHSUREB-UHFFFAOYSA-N
XLogP4.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide (CID 129054347) is 2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide is CCCN(CCC)C(=O)c1cc(Cl)nc(OCc2ccccc2)c1.
What is the InChIKey of 2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide?
The InChIKey is CZQVEVAQHSUREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-3-10-22(11-4-2)19(23)16-12-17(20)21-18(13-16)24-14-15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3.
What are the key properties of 2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide?
2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide is sourced from PubChem (CID 129054347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).