methyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate

C14H19N3O2 — CID 163383041

IUPACmethyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCNCc1ccc(C2=CCN(C(=O)OC)CC2)cn1
InChIInChI=1S/C14H19N3O2/c1-15-10-13-4-3-12(9-16-13)11-5-7-17(8-6-11)14(18)19-2/h3-5,9,15H,6-8,10H2,1-2H3
InChIKeyVXFFJHBRILSMSI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.66
Rot. Bonds3

About methyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate

methyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 163383041) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID163383041
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Namemethyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCNCc1ccc(C2=CCN(C(=O)OC)CC2)cn1
InChIInChI=1S/C14H19N3O2/c1-15-10-13-4-3-12(9-16-13)11-5-7-17(8-6-11)14(18)19-2/h3-5,9,15H,6-8,10H2,1-2H3
InChIKeyVXFFJHBRILSMSI-UHFFFAOYSA-N
XLogP1.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Related Compounds

methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxylate
CID 67125893
tert-butyl 4-(6-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154620521
tert-butyl 4-[6-[hydroxy(methyl)amino]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 123296836
tert-butyl 4-[6-(3-methoxyprop-1-ynyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 134362475
methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 54198960
1-[4-(6-nitroso-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 123656548
tert-butyl 4-[6-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;methyl (2S)-3-(5-bromo-2-pyridinyl)-2-[(2,6-dichlorobenzoyl)amino]propanoate
CID 157168916
tert-butyl 4-[4-(methylcarbamoyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 149339424
1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 142929013
tert-butyl 4-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58913408
1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 70614874
methyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 57230016

Frequently Asked Questions

What is the IUPAC name of methyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 163383041) is methyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate is CNCc1ccc(C2=CCN(C(=O)OC)CC2)cn1.
What is the InChIKey of methyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is VXFFJHBRILSMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-10-13-4-3-12(9-16-13)11-5-7-17(8-6-11)14(18)19-2/h3-5,9,15H,6-8,10H2,1-2H3.
What are the key properties of methyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 163383041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).