6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-2-carboxamide

C13H18N4O — CID 107489464

IUPAC6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(NCCC2=CCNCC2)n1
InChIInChI=1S/C13H18N4O/c14-13(18)11-2-1-3-12(17-11)16-9-6-10-4-7-15-8-5-10/h1-4,15H,5-9H2,(H2,14,18)(H,16,17)
InChIKeyNPQDKXUUZQURFF-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.90
Rot. Bonds5

About 6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-2-carboxamide

6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-2-carboxamide (PubChem CID 107489464) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-2-carboxamide
PubChem CID107489464
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(NCCC2=CCNCC2)n1
InChIInChI=1S/C13H18N4O/c14-13(18)11-2-1-3-12(17-11)16-9-6-10-4-7-15-8-5-10/h1-4,15H,5-9H2,(H2,14,18)(H,16,17)
InChIKeyNPQDKXUUZQURFF-UHFFFAOYSA-N
XLogP0.90
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridazine-3-carboxamide
CID 107488769
4,6-dimethyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carboxamide
CID 107488718
2,6-dimethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carboxamide
CID 107488661
7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid
CID 64588541
6-[3-(ethylamino)propylamino]pyridine-2-carboxamide
CID 64587795
3-bromo-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]benzamide
CID 107489144
2,6-dihydroxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107690529
6-(2-aminopropylamino)pyridine-2-carboxamide
CID 64588003
5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazin-2-amine
CID 107489063
6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide
CID 133477090
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486741
6-(azetidin-3-ylamino)pyridine-2-carboxamide
CID 66188207

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of 6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-2-carboxamide (CID 107489464) is 6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for 6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for 6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-2-carboxamide is NC(=O)c1cccc(NCCC2=CCNCC2)n1.
What is the InChIKey of 6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-2-carboxamide?
The InChIKey is NPQDKXUUZQURFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c14-13(18)11-2-1-3-12(17-11)16-9-6-10-4-7-15-8-5-10/h1-4,15H,5-9H2,(H2,14,18)(H,16,17).
What are the key properties of 6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-2-carboxamide?
6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 107489464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).