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

C14H21N3O3 — CID 62181314

IUPACN-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCC2COCCO2)cn1
InChIInChI=1S/C14H21N3O3/c1-2-5-15-13-4-3-11(8-16-13)14(18)17-9-12-10-19-6-7-20-12/h3-4,8,12H,2,5-7,9-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyBPLAGQTYOLPXMH-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.05
Rot. Bonds6

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

N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-3-carboxamide (PubChem CID 62181314) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-3-carboxamide
PubChem CID62181314
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCC2COCCO2)cn1
InChIInChI=1S/C14H21N3O3/c1-2-5-15-13-4-3-11(8-16-13)14(18)17-9-12-10-19-6-7-20-12/h3-4,8,12H,2,5-7,9-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyBPLAGQTYOLPXMH-UHFFFAOYSA-N
XLogP1.05
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62179195
3-chloro-N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-2-carboxamide
CID 62179373
6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide
CID 54908916
N-(cyclobutylmethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62168464
N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153510
N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)pyridine-2-carboxamide
CID 62180963
N-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374710
N-[(1-methylpiperidin-2-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62173667
6-(ethylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 62176089
N-(1,4-dioxan-2-ylmethyl)-3,4-dihydroxybenzamide
CID 113358419
4-carbamothioyl-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908262
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide
CID 106408591

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-3-carboxamide (CID 62181314) is N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-3-carboxamide is CCCNc1ccc(C(=O)NCC2COCCO2)cn1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is BPLAGQTYOLPXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-5-15-13-4-3-11(8-16-13)14(18)17-9-12-10-19-6-7-20-12/h3-4,8,12H,2,5-7,9-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-3-carboxamide?
N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62181314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).