methyl 2-[4-(pyrrolidin-3-ylamino)anilino]pyridine-3-carboxylate

C17H20N4O2 — CID 142730255

IUPACmethyl 2-[4-(pyrrolidin-3-ylamino)anilino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1Nc1ccc(NC2CCNC2)cc1
InChIInChI=1S/C17H20N4O2/c1-23-17(22)15-3-2-9-19-16(15)21-13-6-4-12(5-7-13)20-14-8-10-18-11-14/h2-7,9,14,18,20H,8,10-11H2,1H3,(H,19,21)
InChIKeyJITCJXABCUCIGM-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.39
Rot. Bonds5

About methyl 2-[4-(pyrrolidin-3-ylamino)anilino]pyridine-3-carboxylate

methyl 2-[4-(pyrrolidin-3-ylamino)anilino]pyridine-3-carboxylate (PubChem CID 142730255) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 2-[4-(pyrrolidin-3-ylamino)anilino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(pyrrolidin-3-ylamino)anilino]pyridine-3-carboxylate
PubChem CID142730255
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Namemethyl 2-[4-(pyrrolidin-3-ylamino)anilino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1Nc1ccc(NC2CCNC2)cc1
InChIInChI=1S/C17H20N4O2/c1-23-17(22)15-3-2-9-19-16(15)21-13-6-4-12(5-7-13)20-14-8-10-18-11-14/h2-7,9,14,18,20H,8,10-11H2,1H3,(H,19,21)
InChIKeyJITCJXABCUCIGM-UHFFFAOYSA-N
XLogP2.39
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
N,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 122441446
methyl 2-[(1,1-dioxothian-4-yl)amino]pyridine-3-carboxylate
CID 62000677
methyl 2-[4-(1-hydroxy-2-methylpropyl)anilino]pyridine-3-carboxylate
CID 22603043
methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate
CID 103082179
methyl 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylate
CID 90092997
methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate
CID 60722333
methyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]anilino]anilino]pyridine-3-carboxylate
CID 155133955
methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate
CID 62000109
N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 119450033
3-fluoro-N-pyrrolidin-3-ylpyridin-2-amine
CID 62732869
N-methyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79723972

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(pyrrolidin-3-ylamino)anilino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[4-(pyrrolidin-3-ylamino)anilino]pyridine-3-carboxylate (CID 142730255) is methyl 2-[4-(pyrrolidin-3-ylamino)anilino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[4-(pyrrolidin-3-ylamino)anilino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[4-(pyrrolidin-3-ylamino)anilino]pyridine-3-carboxylate is COC(=O)c1cccnc1Nc1ccc(NC2CCNC2)cc1.
What is the InChIKey of methyl 2-[4-(pyrrolidin-3-ylamino)anilino]pyridine-3-carboxylate?
The InChIKey is JITCJXABCUCIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-17(22)15-3-2-9-19-16(15)21-13-6-4-12(5-7-13)20-14-8-10-18-11-14/h2-7,9,14,18,20H,8,10-11H2,1H3,(H,19,21).
What are the key properties of methyl 2-[4-(pyrrolidin-3-ylamino)anilino]pyridine-3-carboxylate?
methyl 2-[4-(pyrrolidin-3-ylamino)anilino]pyridine-3-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(pyrrolidin-3-ylamino)anilino]pyridine-3-carboxylate is sourced from PubChem (CID 142730255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).