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

C14H21N3O3 — CID 62180963

IUPACN-(1,4-dioxan-2-ylmethyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)NCC2COCCO2)c1
InChIInChI=1S/C14H21N3O3/c1-2-4-15-11-3-5-16-13(8-11)14(18)17-9-12-10-19-6-7-20-12/h3,5,8,12H,2,4,6-7,9-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyLZLSIMRMQUCZGP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.05
Rot. Bonds6

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

N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)pyridine-2-carboxamide (PubChem CID 62180963) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-4-(propylamino)pyridine-2-carboxamide
PubChem CID62180963
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)NCC2COCCO2)c1
InChIInChI=1S/C14H21N3O3/c1-2-4-15-11-3-5-16-13(8-11)14(18)17-9-12-10-19-6-7-20-12/h3,5,8,12H,2,4,6-7,9-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyLZLSIMRMQUCZGP-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

Analyze N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62179195
4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62173174
N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide
CID 62169677
N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62181314
N-(oxan-4-yl)-4-(propylamino)pyridine-2-carboxamide
CID 55046881
N-[(1,1-dioxothiolan-2-yl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 81041211
3-chloro-N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-2-carboxamide
CID 62179373
4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62172967
N-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374710
4-N-(1,4-dioxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80797541
N-pentan-2-yl-4-(propylamino)pyridine-2-carboxamide
CID 62185598
N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 55101029

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)pyridine-2-carboxamide (CID 62180963) is N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)NCC2COCCO2)c1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)pyridine-2-carboxamide?
The InChIKey is LZLSIMRMQUCZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-4-15-11-3-5-16-13(8-11)14(18)17-9-12-10-19-6-7-20-12/h3,5,8,12H,2,4,6-7,9-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)pyridine-2-carboxamide?
N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)pyridine-2-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)-4-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62180963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).