(2S,4S)-N-cyclopropyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide

C21H24N4O5 — CID 110198977

IUPAC(2S,4S)-N-cyclopropyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(=O)NC2CC2)c(OC)n1
InChIInChI=1S/C21H24N4O5/c1-28-18-8-7-16(20(24-18)29-2)21(27)25-12-15(30-14-4-3-9-22-11-14)10-17(25)19(26)23-13-5-6-13/h3-4,7-9,11,13,15,17H,5-6,10,12H2,1-2H3,(H,23,26)/t15-,17-/m0/s1
InChIKeyDZAJEVXXEWFBQT-RDJZCZTQSA-N
MW412.45 g/mol
LogP1.43
Rot. Bonds7

About (2S,4S)-N-cyclopropyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide

(2S,4S)-N-cyclopropyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110198977) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is (2S,4S)-N-cyclopropyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-cyclopropyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110198977
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Name(2S,4S)-N-cyclopropyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(=O)NC2CC2)c(OC)n1
InChIInChI=1S/C21H24N4O5/c1-28-18-8-7-16(20(24-18)29-2)21(27)25-12-15(30-14-4-3-9-22-11-14)10-17(25)19(26)23-13-5-6-13/h3-4,7-9,11,13,15,17H,5-6,10,12H2,1-2H3,(H,23,26)/t15-,17-/m0/s1
InChIKeyDZAJEVXXEWFBQT-RDJZCZTQSA-N
XLogP1.43
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-cyclopropyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-cyclopropyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110198977) is (2S,4S)-N-cyclopropyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-cyclopropyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-cyclopropyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is COc1ccc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(=O)NC2CC2)c(OC)n1.
What is the InChIKey of (2S,4S)-N-cyclopropyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is DZAJEVXXEWFBQT-RDJZCZTQSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-28-18-8-7-16(20(24-18)29-2)21(27)25-12-15(30-14-4-3-9-22-11-14)10-17(25)19(26)23-13-5-6-13/h3-4,7-9,11,13,15,17H,5-6,10,12H2,1-2H3,(H,23,26)/t15-,17-/m0/s1.
What are the key properties of (2S,4S)-N-cyclopropyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-N-cyclopropyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-cyclopropyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).