methyl 4-(benzylamino)pyridine-2-carboxylate

C14H14N2O2 — CID 66008646

IUPACmethyl 4-(benzylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCc2ccccc2)ccn1
InChIInChI=1S/C14H14N2O2/c1-18-14(17)13-9-12(7-8-15-13)16-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,15,16)
InChIKeyBXQLZCLFRWJYSY-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.48
Rot. Bonds4

About methyl 4-(benzylamino)pyridine-2-carboxylate

methyl 4-(benzylamino)pyridine-2-carboxylate (PubChem CID 66008646) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is methyl 4-(benzylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(benzylamino)pyridine-2-carboxylate
PubChem CID66008646
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namemethyl 4-(benzylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCc2ccccc2)ccn1
InChIInChI=1S/C14H14N2O2/c1-18-14(17)13-9-12(7-8-15-13)16-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,15,16)
InChIKeyBXQLZCLFRWJYSY-UHFFFAOYSA-N
XLogP2.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(pyridin-3-ylmethylamino)pyridine-2-carboxylate
CID 66008856
methyl 3-[[4-(benzylamino)pyridine-2-carbonyl]amino]-4-chlorobenzoate
CID 109209878
methyl 4-(2-phenylsulfanylethylamino)pyridine-2-carboxylate
CID 66286043
4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209796
methyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate
CID 79492915
methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate
CID 103702630
4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109209829
4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid
CID 54944792
N-benzyl-4-(ethylamino)pyridine-2-carboxamide
CID 55042680
methyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate
CID 66285848
methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate
CID 66285458
methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate
CID 66286478

Frequently Asked Questions

What is the IUPAC name of methyl 4-(benzylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(benzylamino)pyridine-2-carboxylate (CID 66008646) is methyl 4-(benzylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(benzylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(benzylamino)pyridine-2-carboxylate is COC(=O)c1cc(NCc2ccccc2)ccn1.
What is the InChIKey of methyl 4-(benzylamino)pyridine-2-carboxylate?
The InChIKey is BXQLZCLFRWJYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-18-14(17)13-9-12(7-8-15-13)16-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,15,16).
What are the key properties of methyl 4-(benzylamino)pyridine-2-carboxylate?
methyl 4-(benzylamino)pyridine-2-carboxylate has a molecular weight of 242.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(benzylamino)pyridine-2-carboxylate is sourced from PubChem (CID 66008646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).