methyl 3-[(6-cyclopropyl-3,4-dihydronaphthalen-1-yl)methylamino]pyridine-4-carboxylate

C21H22N2O2 — CID 90301476

IUPACmethyl 3-[(6-cyclopropyl-3,4-dihydronaphthalen-1-yl)methylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1NCC1=CCCc2cc(C3CC3)ccc21
InChIInChI=1S/C21H22N2O2/c1-25-21(24)19-9-10-22-13-20(19)23-12-17-4-2-3-16-11-15(14-5-6-14)7-8-18(16)17/h4,7-11,13-14,23H,2-3,5-6,12H2,1H3
InChIKeyAXONIDGMVPAYDU-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.19
Rot. Bonds5

About methyl 3-[(6-cyclopropyl-3,4-dihydronaphthalen-1-yl)methylamino]pyridine-4-carboxylate

methyl 3-[(6-cyclopropyl-3,4-dihydronaphthalen-1-yl)methylamino]pyridine-4-carboxylate (PubChem CID 90301476) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 3-[(6-cyclopropyl-3,4-dihydronaphthalen-1-yl)methylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(6-cyclopropyl-3,4-dihydronaphthalen-1-yl)methylamino]pyridine-4-carboxylate
PubChem CID90301476
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Namemethyl 3-[(6-cyclopropyl-3,4-dihydronaphthalen-1-yl)methylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1NCC1=CCCc2cc(C3CC3)ccc21
InChIInChI=1S/C21H22N2O2/c1-25-21(24)19-9-10-22-13-20(19)23-12-17-4-2-3-16-11-15(14-5-6-14)7-8-18(16)17/h4,7-11,13-14,23H,2-3,5-6,12H2,1H3
InChIKeyAXONIDGMVPAYDU-UHFFFAOYSA-N
XLogP4.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate
CID 83322074
methyl 3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)methylamino]pyridine-4-carboxylate
CID 118597606
N-(4-cyclopropylphenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydronaphthalen-2-amine;methyl 3-(methylamino)pyridine-4-carboxylate
CID 144986902
methyl 3-[[(1R)-7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate
CID 118597848
methyl 3-[[(1R)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate
CID 118598324
methyl 5-cyclopropyl-2-fluorobenzoate
CID 126696591
methyl 3-(ethenylamino)pyridine-4-carboxylate
CID 144656396
methyl 3-[[(1S)-6-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate
CID 118598098
methyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407462
methyl 3-[[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate
CID 155313811
[4-(4-cyclopropylbenzoyl)-3-pyridinyl] methyl carbonate
CID 23103601
tert-butyl (1R)-6-bromo-1-[[(4-methoxycarbonyl-3-pyridinyl)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (1S)-6-bromo-1-[[(4-methoxycarbonyl-3-pyridinyl)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 158189076

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-cyclopropyl-3,4-dihydronaphthalen-1-yl)methylamino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[(6-cyclopropyl-3,4-dihydronaphthalen-1-yl)methylamino]pyridine-4-carboxylate (CID 90301476) is methyl 3-[(6-cyclopropyl-3,4-dihydronaphthalen-1-yl)methylamino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[(6-cyclopropyl-3,4-dihydronaphthalen-1-yl)methylamino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[(6-cyclopropyl-3,4-dihydronaphthalen-1-yl)methylamino]pyridine-4-carboxylate is COC(=O)c1ccncc1NCC1=CCCc2cc(C3CC3)ccc21.
What is the InChIKey of methyl 3-[(6-cyclopropyl-3,4-dihydronaphthalen-1-yl)methylamino]pyridine-4-carboxylate?
The InChIKey is AXONIDGMVPAYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-25-21(24)19-9-10-22-13-20(19)23-12-17-4-2-3-16-11-15(14-5-6-14)7-8-18(16)17/h4,7-11,13-14,23H,2-3,5-6,12H2,1H3.
What are the key properties of methyl 3-[(6-cyclopropyl-3,4-dihydronaphthalen-1-yl)methylamino]pyridine-4-carboxylate?
methyl 3-[(6-cyclopropyl-3,4-dihydronaphthalen-1-yl)methylamino]pyridine-4-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-cyclopropyl-3,4-dihydronaphthalen-1-yl)methylamino]pyridine-4-carboxylate is sourced from PubChem (CID 90301476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).