N-[(2S)-1-[(2S)-2-[[(2R,3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpyridine-3-carboxamide

C19H24N4O6 — CID 70805341

IUPACN-[(2S)-1-[(2S)-2-[[(2R,3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)O[C@H]1O
InChIInChI=1S/C19H24N4O6/c1-10-5-6-20-9-12(10)16(25)21-11(2)18(27)23-7-3-4-14(23)17(26)22-13-8-15(24)29-19(13)28/h5-6,9,11,13-14,19,28H,3-4,7-8H2,1-2H3,(H,21,25)(H,22,26)/t11-,13-,14-,19+/m0/s1
InChIKeyCGJBFLWKAUGTGO-LDBIXWDDSA-N
MW404.42 g/mol
LogP-0.75
Rot. Bonds5

About N-[(2S)-1-[(2S)-2-[[(2R,3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpyridine-3-carboxamide

N-[(2S)-1-[(2S)-2-[[(2R,3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpyridine-3-carboxamide (PubChem CID 70805341) has the molecular formula C19H24N4O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is N-[(2S)-1-[(2S)-2-[[(2R,3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2S)-2-[[(2R,3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpyridine-3-carboxamide
PubChem CID70805341
Molecular FormulaC19H24N4O6
Molecular Weight404.42 g/mol
Exact Mass404.17
IUPAC NameN-[(2S)-1-[(2S)-2-[[(2R,3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)O[C@H]1O
InChIInChI=1S/C19H24N4O6/c1-10-5-6-20-9-12(10)16(25)21-11(2)18(27)23-7-3-4-14(23)17(26)22-13-8-15(24)29-19(13)28/h5-6,9,11,13-14,19,28H,3-4,7-8H2,1-2H3,(H,21,25)(H,22,26)/t11-,13-,14-,19+/m0/s1
InChIKeyCGJBFLWKAUGTGO-LDBIXWDDSA-N
XLogP-0.75
TPSA137.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2S)-2-[[(2R,3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-[(2S)-2-[[(2R,3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpyridine-3-carboxamide (CID 70805341) is N-[(2S)-1-[(2S)-2-[[(2R,3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(2S)-2-[[(2R,3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[(2S)-2-[[(2R,3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpyridine-3-carboxamide is Cc1ccncc1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)O[C@H]1O.
What is the InChIKey of N-[(2S)-1-[(2S)-2-[[(2R,3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpyridine-3-carboxamide?
The InChIKey is CGJBFLWKAUGTGO-LDBIXWDDSA-N. The full InChI is InChI=1S/C19H24N4O6/c1-10-5-6-20-9-12(10)16(25)21-11(2)18(27)23-7-3-4-14(23)17(26)22-13-8-15(24)29-19(13)28/h5-6,9,11,13-14,19,28H,3-4,7-8H2,1-2H3,(H,21,25)(H,22,26)/t11-,13-,14-,19+/m0/s1.
What are the key properties of N-[(2S)-1-[(2S)-2-[[(2R,3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpyridine-3-carboxamide?
N-[(2S)-1-[(2S)-2-[[(2R,3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpyridine-3-carboxamide has a molecular weight of 404.42 g/mol, XLogP of -0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2S)-2-[[(2R,3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70805341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).