N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-pyridin-2-ylhexan-3-yl]-7-azaspiro[3.5]nonane-7-carboxamide

C24H30F2N4O2 — CID 58054683

IUPACN-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-pyridin-2-ylhexan-3-yl]-7-azaspiro[3.5]nonane-7-carboxamide
SMILESN#CC1(CC(=O)[C@H](CC(F)(F)Cc2ccccn2)NC(=O)N2CCC3(CCC3)CC2)CC1
InChIInChI=1S/C24H30F2N4O2/c25-24(26,14-18-4-1-2-11-28-18)15-19(20(31)16-23(17-27)7-8-23)29-21(32)30-12-9-22(10-13-30)5-3-6-22/h1-2,4,11,19H,3,5-10,12-16H2,(H,29,32)/t19-/m0/s1
InChIKeyGXQJGOAKJUUSLD-IBGZPJMESA-N
MW444.53 g/mol
LogP4.26
Rot. Bonds8

About N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-pyridin-2-ylhexan-3-yl]-7-azaspiro[3.5]nonane-7-carboxamide

N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-pyridin-2-ylhexan-3-yl]-7-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 58054683) has the molecular formula C24H30F2N4O2 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-pyridin-2-ylhexan-3-yl]-7-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-pyridin-2-ylhexan-3-yl]-7-azaspiro[3.5]nonane-7-carboxamide
PubChem CID58054683
Molecular FormulaC24H30F2N4O2
Molecular Weight444.53 g/mol
Exact Mass444.23
IUPAC NameN-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-pyridin-2-ylhexan-3-yl]-7-azaspiro[3.5]nonane-7-carboxamide
SMILESN#CC1(CC(=O)[C@H](CC(F)(F)Cc2ccccn2)NC(=O)N2CCC3(CCC3)CC2)CC1
InChIInChI=1S/C24H30F2N4O2/c25-24(26,14-18-4-1-2-11-28-18)15-19(20(31)16-23(17-27)7-8-23)29-21(32)30-12-9-22(10-13-30)5-3-6-22/h1-2,4,11,19H,3,5-10,12-16H2,(H,29,32)/t19-/m0/s1
InChIKeyGXQJGOAKJUUSLD-IBGZPJMESA-N
XLogP4.26
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-pyridin-3-ylhexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 58054658
N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-phenylhexan-3-yl]-7-methyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 58054723
N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxohexan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-carboxamide
CID 58054713
N-[(3S)-1-(1-cyanocyclopropyl)-6,6-difluoro-6-(4-fluorophenyl)-2-oxohexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 58054704
N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxohexan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
CID 58054597
(7-cyclopropyl-2,7-diazaspiro[3.5]nonan-2-yl) N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-2-ylpentan-2-yl]carbamate
CID 91341597
N-[(3S)-1-(1-cyanocyclopropyl)-6,6-difluoro-2-oxo-6-pyridin-4-ylhexan-3-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 58054653
N-[1-(cyanomethylamino)-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-5-azaspiro[2.5]octane-5-carboxamide
CID 76654299
1-(2-azaspiro[4.4]nonan-2-yl)-2-(pyridin-2-ylamino)ethanone
CID 166253169
N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 70309854
3,3,3-trifluoro-1-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
CID 97450451
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 24992876

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-pyridin-2-ylhexan-3-yl]-7-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-pyridin-2-ylhexan-3-yl]-7-azaspiro[3.5]nonane-7-carboxamide (CID 58054683) is N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-pyridin-2-ylhexan-3-yl]-7-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-pyridin-2-ylhexan-3-yl]-7-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-pyridin-2-ylhexan-3-yl]-7-azaspiro[3.5]nonane-7-carboxamide is N#CC1(CC(=O)[C@H](CC(F)(F)Cc2ccccn2)NC(=O)N2CCC3(CCC3)CC2)CC1.
What is the InChIKey of N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-pyridin-2-ylhexan-3-yl]-7-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is GXQJGOAKJUUSLD-IBGZPJMESA-N. The full InChI is InChI=1S/C24H30F2N4O2/c25-24(26,14-18-4-1-2-11-28-18)15-19(20(31)16-23(17-27)7-8-23)29-21(32)30-12-9-22(10-13-30)5-3-6-22/h1-2,4,11,19H,3,5-10,12-16H2,(H,29,32)/t19-/m0/s1.
What are the key properties of N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-pyridin-2-ylhexan-3-yl]-7-azaspiro[3.5]nonane-7-carboxamide?
N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-pyridin-2-ylhexan-3-yl]-7-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 444.53 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-pyridin-2-ylhexan-3-yl]-7-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 58054683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).