2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide

C13H17N3O — CID 114693767

IUPAC2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCC1=CCNCC1
InChIInChI=1S/C13H17N3O/c1-10-12(3-2-6-15-10)13(17)16-9-11-4-7-14-8-5-11/h2-4,6,14H,5,7-9H2,1H3,(H,16,17)
InChIKeyCFBPXSFETTTZBX-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.04
Rot. Bonds3

About 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide

2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 114693767) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID114693767
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCC1=CCNCC1
InChIInChI=1S/C13H17N3O/c1-10-12(3-2-6-15-10)13(17)16-9-11-4-7-14-8-5-11/h2-4,6,14H,5,7-9H2,1H3,(H,16,17)
InChIKeyCFBPXSFETTTZBX-UHFFFAOYSA-N
XLogP1.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide
CID 114693848
2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 114693546
3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 107098368
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide
CID 114693786
2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564265
N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78950948
N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78951088
2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 114693924
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
CID 120944751
N-(2-amino-2-oxoethyl)-2-methylpyridine-3-carboxamide
CID 78953566
2,4-dichloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 114693780
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide (CID 114693767) is 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide is Cc1ncccc1C(=O)NCC1=CCNCC1.
What is the InChIKey of 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is CFBPXSFETTTZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-12(3-2-6-15-10)13(17)16-9-11-4-7-14-8-5-11/h2-4,6,14H,5,7-9H2,1H3,(H,16,17).
What are the key properties of 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide?
2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 114693767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).