N,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide

C16H24N4O — CID 114694391

IUPACN,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCC2=CCNCC2)ccn1
InChIInChI=1S/C16H24N4O/c1-3-20(4-2)16(21)15-11-14(7-10-18-15)19-12-13-5-8-17-9-6-13/h5,7,10-11,17H,3-4,6,8-9,12H2,1-2H3,(H,18,19)
InChIKeyVLJFRVHRQDNLQV-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.90
Rot. Bonds6

About N,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide

N,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide (PubChem CID 114694391) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide
PubChem CID114694391
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCC2=CCNCC2)ccn1
InChIInChI=1S/C16H24N4O/c1-3-20(4-2)16(21)15-11-14(7-10-18-15)19-12-13-5-8-17-9-6-13/h5,7,10-11,17H,3-4,6,8-9,12H2,1-2H3,(H,18,19)
InChIKeyVLJFRVHRQDNLQV-UHFFFAOYSA-N
XLogP1.90
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
CID 79386430
4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide
CID 109205585
N,N-diethyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carboxamide
CID 106381972
N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747
N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
CID 43517418
N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide
CID 106290832
N,N-diethyl-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212060
4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide
CID 66175860
N,N-diethyl-4-[(1-methylcyclopropyl)amino]pyridine-2-carboxamide
CID 113485597
N,N-diethyl-4-[[2-methyl-3-(methylamino)propyl]amino]pyridine-2-carboxamide
CID 115303183
2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid
CID 65226330

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide (CID 114694391) is N,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide is CCN(CC)C(=O)c1cc(NCC2=CCNCC2)ccn1.
What is the InChIKey of N,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is VLJFRVHRQDNLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-20(4-2)16(21)15-11-14(7-10-18-15)19-12-13-5-8-17-9-6-13/h5,7,10-11,17H,3-4,6,8-9,12H2,1-2H3,(H,18,19).
What are the key properties of N,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide?
N,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 114694391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).