ethyl 2,6-dimethyl-4-[(pyridin-4-ylamino)methyl]pyridine-3-carboxylate

C16H19N3O2 — CID 4249425

IUPACethyl 2,6-dimethyl-4-[(pyridin-4-ylamino)methyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(CNc2ccncc2)cc(C)nc1C
InChIInChI=1S/C16H19N3O2/c1-4-21-16(20)15-12(3)19-11(2)9-13(15)10-18-14-5-7-17-8-6-14/h5-9H,4,10H2,1-3H3,(H,17,18)
InChIKeyMCIOMIJJYIJMIF-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.88
Rot. Bonds5

About ethyl 2,6-dimethyl-4-[(pyridin-4-ylamino)methyl]pyridine-3-carboxylate

ethyl 2,6-dimethyl-4-[(pyridin-4-ylamino)methyl]pyridine-3-carboxylate (PubChem CID 4249425) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is ethyl 2,6-dimethyl-4-[(pyridin-4-ylamino)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dimethyl-4-[(pyridin-4-ylamino)methyl]pyridine-3-carboxylate
PubChem CID4249425
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nameethyl 2,6-dimethyl-4-[(pyridin-4-ylamino)methyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(CNc2ccncc2)cc(C)nc1C
InChIInChI=1S/C16H19N3O2/c1-4-21-16(20)15-12(3)19-11(2)9-13(15)10-18-14-5-7-17-8-6-14/h5-9H,4,10H2,1-3H3,(H,17,18)
InChIKeyMCIOMIJJYIJMIF-UHFFFAOYSA-N
XLogP2.88
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dimethyl-4-[(pyridin-4-ylamino)methyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2,6-dimethyl-4-[(pyridin-4-ylamino)methyl]pyridine-3-carboxylate (CID 4249425) is ethyl 2,6-dimethyl-4-[(pyridin-4-ylamino)methyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,6-dimethyl-4-[(pyridin-4-ylamino)methyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2,6-dimethyl-4-[(pyridin-4-ylamino)methyl]pyridine-3-carboxylate is CCOC(=O)c1c(CNc2ccncc2)cc(C)nc1C.
What is the InChIKey of ethyl 2,6-dimethyl-4-[(pyridin-4-ylamino)methyl]pyridine-3-carboxylate?
The InChIKey is MCIOMIJJYIJMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-21-16(20)15-12(3)19-11(2)9-13(15)10-18-14-5-7-17-8-6-14/h5-9H,4,10H2,1-3H3,(H,17,18).
What are the key properties of ethyl 2,6-dimethyl-4-[(pyridin-4-ylamino)methyl]pyridine-3-carboxylate?
ethyl 2,6-dimethyl-4-[(pyridin-4-ylamino)methyl]pyridine-3-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dimethyl-4-[(pyridin-4-ylamino)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 4249425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).