N-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide

C24H27N5O3 — CID 92637916

IUPACN-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCNc1cc(C(=O)N2CC[C@@H](c3cc(C(=O)NCCOC)c4ccccc4n3)C2)ccn1
InChIInChI=1S/C24H27N5O3/c1-25-22-13-16(7-9-26-22)24(31)29-11-8-17(15-29)21-14-19(23(30)27-10-12-32-2)18-5-3-4-6-20(18)28-21/h3-7,9,13-14,17H,8,10-12,15H2,1-2H3,(H,25,26)(H,27,30)/t17-/m1/s1
InChIKeyNWJROJQMQYGJTK-QGZVFWFLSA-N
MW433.51 g/mol
LogP2.68
Rot. Bonds7

About N-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide

N-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide (PubChem CID 92637916) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide
PubChem CID92637916
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCNc1cc(C(=O)N2CC[C@@H](c3cc(C(=O)NCCOC)c4ccccc4n3)C2)ccn1
InChIInChI=1S/C24H27N5O3/c1-25-22-13-16(7-9-26-22)24(31)29-11-8-17(15-29)21-14-19(23(30)27-10-12-32-2)18-5-3-4-6-20(18)28-21/h3-7,9,13-14,17H,8,10-12,15H2,1-2H3,(H,25,26)(H,27,30)/t17-/m1/s1
InChIKeyNWJROJQMQYGJTK-QGZVFWFLSA-N
XLogP2.68
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide (CID 92637916) is N-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide is CNc1cc(C(=O)N2CC[C@@H](c3cc(C(=O)NCCOC)c4ccccc4n3)C2)ccn1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide?
The InChIKey is NWJROJQMQYGJTK-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-25-22-13-16(7-9-26-22)24(31)29-11-8-17(15-29)21-14-19(23(30)27-10-12-32-2)18-5-3-4-6-20(18)28-21/h3-7,9,13-14,17H,8,10-12,15H2,1-2H3,(H,25,26)(H,27,30)/t17-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide?
N-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 92637916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).