methyl 5-[[(3-chloro-2-methoxy-4-pyridinyl)methylamino]methyl]pyridine-2-carboxylate

C15H16ClN3O3 — CID 170056291

IUPACmethyl 5-[[(3-chloro-2-methoxy-4-pyridinyl)methylamino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(CNCc2ccnc(OC)c2Cl)cn1
InChIInChI=1S/C15H16ClN3O3/c1-21-14-13(16)11(5-6-18-14)9-17-7-10-3-4-12(19-8-10)15(20)22-2/h3-6,8,17H,7,9H2,1-2H3
InChIKeyVXPJLSGEAPPTDU-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.21
Rot. Bonds6

About methyl 5-[[(3-chloro-2-methoxy-4-pyridinyl)methylamino]methyl]pyridine-2-carboxylate

methyl 5-[[(3-chloro-2-methoxy-4-pyridinyl)methylamino]methyl]pyridine-2-carboxylate (PubChem CID 170056291) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is methyl 5-[[(3-chloro-2-methoxy-4-pyridinyl)methylamino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3-chloro-2-methoxy-4-pyridinyl)methylamino]methyl]pyridine-2-carboxylate
PubChem CID170056291
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Namemethyl 5-[[(3-chloro-2-methoxy-4-pyridinyl)methylamino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(CNCc2ccnc(OC)c2Cl)cn1
InChIInChI=1S/C15H16ClN3O3/c1-21-14-13(16)11(5-6-18-14)9-17-7-10-3-4-12(19-8-10)15(20)22-2/h3-6,8,17H,7,9H2,1-2H3
InChIKeyVXPJLSGEAPPTDU-UHFFFAOYSA-N
XLogP2.21
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[(3-chloro-2-methoxy-4-pyridinyl)methylamino]methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[(3,4-dichloro-2-pyridinyl)methylamino]methyl]pyridine-2-carboxylate
CID 168853758
ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate
CID 142388735
methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
methyl 5-chloropyridine-2-carboxylate
CID 11298216
methyl 5-[[1-(2-chloro-3,4-dimethoxyphenyl)propylamino]methyl]pyridine-2-carboxylate
CID 166869395
1-(4-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 54920418
3-chloro-N-[2-chloro-3-[2-chloro-3-[[5-[(2-hydroxyethylamino)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]-6-methoxypyridine-2-carboxamide
CID 162377260
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 63625015
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
methyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate
CID 159420112
methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate
CID 139512431
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60859308

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3-chloro-2-methoxy-4-pyridinyl)methylamino]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[(3-chloro-2-methoxy-4-pyridinyl)methylamino]methyl]pyridine-2-carboxylate (CID 170056291) is methyl 5-[[(3-chloro-2-methoxy-4-pyridinyl)methylamino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[(3-chloro-2-methoxy-4-pyridinyl)methylamino]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[(3-chloro-2-methoxy-4-pyridinyl)methylamino]methyl]pyridine-2-carboxylate is COC(=O)c1ccc(CNCc2ccnc(OC)c2Cl)cn1.
What is the InChIKey of methyl 5-[[(3-chloro-2-methoxy-4-pyridinyl)methylamino]methyl]pyridine-2-carboxylate?
The InChIKey is VXPJLSGEAPPTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-21-14-13(16)11(5-6-18-14)9-17-7-10-3-4-12(19-8-10)15(20)22-2/h3-6,8,17H,7,9H2,1-2H3.
What are the key properties of methyl 5-[[(3-chloro-2-methoxy-4-pyridinyl)methylamino]methyl]pyridine-2-carboxylate?
methyl 5-[[(3-chloro-2-methoxy-4-pyridinyl)methylamino]methyl]pyridine-2-carboxylate has a molecular weight of 321.76 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3-chloro-2-methoxy-4-pyridinyl)methylamino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 170056291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).