(2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

C17H20N4O2 — CID 94170252

IUPAC(2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCCOc1ncccc1NC(=O)N1CCC[C@@H]1c1ccncc1
InChIInChI=1S/C17H20N4O2/c1-2-23-16-14(5-3-9-19-16)20-17(22)21-12-4-6-15(21)13-7-10-18-11-8-13/h3,5,7-11,15H,2,4,6,12H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyHFBFDGWFTVCGNK-OAHLLOKOSA-N
MW312.37 g/mol
LogP3.24
Rot. Bonds4

About (2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

(2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 94170252) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID94170252
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCCOc1ncccc1NC(=O)N1CCC[C@@H]1c1ccncc1
InChIInChI=1S/C17H20N4O2/c1-2-23-16-14(5-3-9-19-16)20-17(22)21-12-4-6-15(21)13-7-10-18-11-8-13/h3,5,7-11,15H,2,4,6,12H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyHFBFDGWFTVCGNK-OAHLLOKOSA-N
XLogP3.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94156095
(2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 97063433
N-(2-phenylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 86987177
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856655
(2R)-N-(2,5-diethylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 124731980
N-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87010188
(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide
CID 929734
N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 86986350
2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 50747134
(3R)-N-(2-ethoxy-3-pyridinyl)-3-methylmorpholine-4-carboxamide
CID 94170218
(2-ethoxy-3-pyridinyl)-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 125016079
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 94170252) is (2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is CCOc1ncccc1NC(=O)N1CCC[C@@H]1c1ccncc1.
What is the InChIKey of (2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is HFBFDGWFTVCGNK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-23-16-14(5-3-9-19-16)20-17(22)21-12-4-6-15(21)13-7-10-18-11-8-13/h3,5,7-11,15H,2,4,6,12H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
(2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 94170252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).