3-chloro-N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-2-carboxamide

C14H20ClN3O3 — CID 62179373

IUPAC3-chloro-N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)NCC2COCCO2)n1
InChIInChI=1S/C14H20ClN3O3/c1-2-5-16-12-4-3-11(15)13(18-12)14(19)17-8-10-9-20-6-7-21-10/h3-4,10H,2,5-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyPJFJPIHHSSURHJ-UHFFFAOYSA-N
MW313.79 g/mol
LogP1.70
Rot. Bonds6

About 3-chloro-N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-2-carboxamide

3-chloro-N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-2-carboxamide (PubChem CID 62179373) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 3-chloro-N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-2-carboxamide
PubChem CID62179373
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name3-chloro-N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)NCC2COCCO2)n1
InChIInChI=1S/C14H20ClN3O3/c1-2-5-16-12-4-3-11(15)13(18-12)14(19)17-8-10-9-20-6-7-21-10/h3-4,10H,2,5-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyPJFJPIHHSSURHJ-UHFFFAOYSA-N
XLogP1.70
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-2-carboxamide (CID 62179373) is 3-chloro-N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(Cl)c(C(=O)NCC2COCCO2)n1.
What is the InChIKey of 3-chloro-N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is PJFJPIHHSSURHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-2-5-16-12-4-3-11(15)13(18-12)14(19)17-8-10-9-20-6-7-21-10/h3-4,10H,2,5-9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 3-chloro-N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-2-carboxamide?
3-chloro-N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 313.79 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62179373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).