6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]pyridine-3-carboxamide

C16H23ClFN3O3 — CID 90155242

IUPAC6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C16H23ClFN3O3/c1-16(2,24)13(18)8-20-15(23)9-7-19-14(17)6-11(9)21-10-4-3-5-12(10)22/h6-7,10,12-13,22,24H,3-5,8H2,1-2H3,(H,19,21)(H,20,23)/t10-,12-,13-/m1/s1
InChIKeySURAUFAFCHHVFB-RAIGVLPGSA-N
MW359.83 g/mol
LogP1.90
Rot. Bonds6

About 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]pyridine-3-carboxamide

6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]pyridine-3-carboxamide (PubChem CID 90155242) has the molecular formula C16H23ClFN3O3 and a molecular weight of 359.83 g/mol. Its IUPAC name is 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]pyridine-3-carboxamide
PubChem CID90155242
Molecular FormulaC16H23ClFN3O3
Molecular Weight359.83 g/mol
Exact Mass359.14
IUPAC Name6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C16H23ClFN3O3/c1-16(2,24)13(18)8-20-15(23)9-7-19-14(17)6-11(9)21-10-4-3-5-12(10)22/h6-7,10,12-13,22,24H,3-5,8H2,1-2H3,(H,19,21)(H,20,23)/t10-,12-,13-/m1/s1
InChIKeySURAUFAFCHHVFB-RAIGVLPGSA-N
XLogP1.90
TPSA94.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

US10023562, Example 76
CID 90154861
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(2R)-N-[(3R)-1-[4-(4-chloro-3-fluoroanilino)pyridine-3-carbonyl]pyrrolidin-3-yl]-2-hydroxypropanamide
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CID 58440204
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6-chloro-4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 87974934
6-chloro-4-[[(3S)-3-fluorocyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 90134240
(R)-6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(isopropylamino)nicotinamide
CID 90134456
6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 90134457

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]pyridine-3-carboxamide (CID 90155242) is 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1N[C@@H]1CCC[C@H]1O.
What is the InChIKey of 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]pyridine-3-carboxamide?
The InChIKey is SURAUFAFCHHVFB-RAIGVLPGSA-N. The full InChI is InChI=1S/C16H23ClFN3O3/c1-16(2,24)13(18)8-20-15(23)9-7-19-14(17)6-11(9)21-10-4-3-5-12(10)22/h6-7,10,12-13,22,24H,3-5,8H2,1-2H3,(H,19,21)(H,20,23)/t10-,12-,13-/m1/s1.
What are the key properties of 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]pyridine-3-carboxamide?
6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]pyridine-3-carboxamide has a molecular weight of 359.83 g/mol, XLogP of 1.90, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 90155242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).