N-[(2R)-1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-6-methyl-5-(6-methyl-3-oxodiazinan-4-yl)oxypyridine-2-carboxamide

C29H35FN6O4 — CID 156906089

IUPACN-[(2R)-1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-6-methyl-5-(6-methyl-3-oxodiazinan-4-yl)oxypyridine-2-carboxamide
SMILESCc1nc(C(=O)N[C@H](C)C(=O)N2[C@H](c3cccc(F)c3)CC[C@@H]2C(C)(C)C#N)ccc1OC1CC(C)NNC1=O
InChIInChI=1S/C29H35FN6O4/c1-16-13-24(27(38)35-34-16)40-23-11-9-21(32-17(23)2)26(37)33-18(3)28(39)36-22(19-7-6-8-20(30)14-19)10-12-25(36)29(4,5)15-31/h6-9,11,14,16,18,22,24-25,34H,10,12-13H2,1-5H3,(H,33,37)(H,35,38)/t16?,18-,22+,24?,25-/m1/s1
InChIKeyNIHQWVYAGQZVOQ-CMRDBLBPSA-N
MW550.64 g/mol
LogP3.09
Rot. Bonds7

About N-[(2R)-1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-6-methyl-5-(6-methyl-3-oxodiazinan-4-yl)oxypyridine-2-carboxamide

N-[(2R)-1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-6-methyl-5-(6-methyl-3-oxodiazinan-4-yl)oxypyridine-2-carboxamide (PubChem CID 156906089) has the molecular formula C29H35FN6O4 and a molecular weight of 550.64 g/mol. Its IUPAC name is N-[(2R)-1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-6-methyl-5-(6-methyl-3-oxodiazinan-4-yl)oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-6-methyl-5-(6-methyl-3-oxodiazinan-4-yl)oxypyridine-2-carboxamide
PubChem CID156906089
Molecular FormulaC29H35FN6O4
Molecular Weight550.64 g/mol
Exact Mass550.27
IUPAC NameN-[(2R)-1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-6-methyl-5-(6-methyl-3-oxodiazinan-4-yl)oxypyridine-2-carboxamide
SMILESCc1nc(C(=O)N[C@H](C)C(=O)N2[C@H](c3cccc(F)c3)CC[C@@H]2C(C)(C)C#N)ccc1OC1CC(C)NNC1=O
InChIInChI=1S/C29H35FN6O4/c1-16-13-24(27(38)35-34-16)40-23-11-9-21(32-17(23)2)26(37)33-18(3)28(39)36-22(19-7-6-8-20(30)14-19)10-12-25(36)29(4,5)15-31/h6-9,11,14,16,18,22,24-25,34H,10,12-13H2,1-5H3,(H,33,37)(H,35,38)/t16?,18-,22+,24?,25-/m1/s1
InChIKeyNIHQWVYAGQZVOQ-CMRDBLBPSA-N
XLogP3.09
TPSA136.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.64
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-6-methyl-5-(6-methyl-3-oxodiazinan-4-yl)oxypyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-6-methyl-5-(6-methyl-3-oxodiazinan-4-yl)oxypyridine-2-carboxamide?
The IUPAC name of N-[(2R)-1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-6-methyl-5-(6-methyl-3-oxodiazinan-4-yl)oxypyridine-2-carboxamide (CID 156906089) is N-[(2R)-1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-6-methyl-5-(6-methyl-3-oxodiazinan-4-yl)oxypyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-6-methyl-5-(6-methyl-3-oxodiazinan-4-yl)oxypyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-6-methyl-5-(6-methyl-3-oxodiazinan-4-yl)oxypyridine-2-carboxamide is Cc1nc(C(=O)N[C@H](C)C(=O)N2[C@H](c3cccc(F)c3)CC[C@@H]2C(C)(C)C#N)ccc1OC1CC(C)NNC1=O.
What is the InChIKey of N-[(2R)-1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-6-methyl-5-(6-methyl-3-oxodiazinan-4-yl)oxypyridine-2-carboxamide?
The InChIKey is NIHQWVYAGQZVOQ-CMRDBLBPSA-N. The full InChI is InChI=1S/C29H35FN6O4/c1-16-13-24(27(38)35-34-16)40-23-11-9-21(32-17(23)2)26(37)33-18(3)28(39)36-22(19-7-6-8-20(30)14-19)10-12-25(36)29(4,5)15-31/h6-9,11,14,16,18,22,24-25,34H,10,12-13H2,1-5H3,(H,33,37)(H,35,38)/t16?,18-,22+,24?,25-/m1/s1.
What are the key properties of N-[(2R)-1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-6-methyl-5-(6-methyl-3-oxodiazinan-4-yl)oxypyridine-2-carboxamide?
N-[(2R)-1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-6-methyl-5-(6-methyl-3-oxodiazinan-4-yl)oxypyridine-2-carboxamide has a molecular weight of 550.64 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-6-methyl-5-(6-methyl-3-oxodiazinan-4-yl)oxypyridine-2-carboxamide is sourced from PubChem (CID 156906089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).