N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide

C21H30N4O4 — CID 166617183

About N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide

N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 166617183) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
• PubChem CID: 166617183
• Molecular Formula: C21H30N4O4
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.23
• IUPAC Name: N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
• SMILES: O=C(NC[C@@H]1CC[C@H](CC(=O)N2CCOCC2)N1CC1CC1)c1cccc(=O)[nH]1
• InChI: InChI=1S/C21H30N4O4/c26-19-3-1-2-18(23-19)21(28)22-13-17-7-6-16(25(17)14-15-4-5-15)12-20(27)24-8-10-29-11-9-24/h1-3,15-17H,4-14H2,(H,22,28)(H,23,26)/t16-,17+/m1/s1
• InChIKey: OROAMRGFKDSOHQ-SJORKVTESA-N
• XLogP: 0.60
• TPSA: 94.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	0.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide?

The IUPAC name of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide (CID 166617183) is N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide.

What is the SMILES notation for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide?

The canonical SMILES for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide is O=C(NC[C@@H]1CC[C@H](CC(=O)N2CCOCC2)N1CC1CC1)c1cccc(=O)[nH]1.

What is the InChIKey of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide?

The InChIKey is OROAMRGFKDSOHQ-SJORKVTESA-N. The full InChI is InChI=1S/C21H30N4O4/c26-19-3-1-2-18(23-19)21(28)22-13-17-7-6-16(25(17)14-15-4-5-15)12-20(27)24-8-10-29-11-9-24/h1-3,15-17H,4-14H2,(H,22,28)(H,23,26)/t16-,17+/m1/s1.

What are the key properties of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide?

N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 166617183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).