6-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide

C22H23N5O3 — CID 70754265

IUPAC6-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN1Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1
InChIInChI=1S/C22H23N5O3/c23-20(28)19-6-3-9-27(19)13-16-7-8-17(22(30)26-16)21(29)25-12-14-10-15-4-1-2-5-18(15)24-11-14/h1-2,4-5,7-8,10-11,19H,3,6,9,12-13H2,(H2,23,28)(H,25,29)(H,26,30)/t19-/m1/s1
InChIKeyRIYKAQFGRBXBPD-LJQANCHMSA-N
MW405.46 g/mol
LogP1.30
Rot. Bonds6

About 6-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide

6-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 70754265) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 6-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID70754265
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name6-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN1Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1
InChIInChI=1S/C22H23N5O3/c23-20(28)19-6-3-9-27(19)13-16-7-8-17(22(30)26-16)21(29)25-12-14-10-15-4-1-2-5-18(15)24-11-14/h1-2,4-5,7-8,10-11,19H,3,6,9,12-13H2,(H2,23,28)(H,25,29)(H,26,30)/t19-/m1/s1
InChIKeyRIYKAQFGRBXBPD-LJQANCHMSA-N
XLogP1.30
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide (CID 70754265) is 6-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide is NC(=O)[C@H]1CCCN1Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1.
What is the InChIKey of 6-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is RIYKAQFGRBXBPD-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N5O3/c23-20(28)19-6-3-9-27(19)13-16-7-8-17(22(30)26-16)21(29)25-12-14-10-15-4-1-2-5-18(15)24-11-14/h1-2,4-5,7-8,10-11,19H,3,6,9,12-13H2,(H2,23,28)(H,25,29)(H,26,30)/t19-/m1/s1.
What are the key properties of 6-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide?
6-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70754265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).