methyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate

C14H22N2O2 — CID 102544682

IUPACmethyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate
SMILESCCCN(CCC)c1ncc(C(=O)OC)cc1C
InChIInChI=1S/C14H22N2O2/c1-5-7-16(8-6-2)13-11(3)9-12(10-15-13)14(17)18-4/h9-10H,5-8H2,1-4H3
InChIKeyYYWOQPNQRVISLR-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.80
Rot. Bonds6

About methyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate

methyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate (PubChem CID 102544682) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate
PubChem CID102544682
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namemethyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate
SMILESCCCN(CCC)c1ncc(C(=O)OC)cc1C
InChIInChI=1S/C14H22N2O2/c1-5-7-16(8-6-2)13-11(3)9-12(10-15-13)14(17)18-4/h9-10H,5-8H2,1-4H3
InChIKeyYYWOQPNQRVISLR-UHFFFAOYSA-N
XLogP2.80
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(dimethylamino)ethyl-propylamino]-5-methylpyridine-3-carboxylic acid
CID 80631658
methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate
CID 127263097
tert-butyl N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methyl]carbamate
CID 102544684
ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate
CID 170617619
methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate
CID 102544528
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
(NE)-N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine
CID 102544681
2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol
CID 80629864
6-[bis(prop-2-enyl)amino]-5-methylpyridine-3-carboxylic acid
CID 80632146
methyl 2-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]acetate
CID 79718546
5-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde
CID 80638351
methyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate
CID 134966576

Frequently Asked Questions

What is the IUPAC name of methyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate (CID 102544682) is methyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate is CCCN(CCC)c1ncc(C(=O)OC)cc1C.
What is the InChIKey of methyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate?
The InChIKey is YYWOQPNQRVISLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-7-16(8-6-2)13-11(3)9-12(10-15-13)14(17)18-4/h9-10H,5-8H2,1-4H3.
What are the key properties of methyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate?
methyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate has a molecular weight of 250.34 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 102544682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).