N-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-4-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide

C25H32F2N6O2 — CID 76654330

IUPACN-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-4-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESN#CC1(NC(=O)C(CCC(F)(F)c2ccncc2)NC(=O)N2CC3(CCN(C4CC4)CC3)C2)CC1
InChIInChI=1S/C25H32F2N6O2/c26-25(27,18-4-11-29-12-5-18)6-3-20(21(34)31-24(15-28)7-8-24)30-22(35)33-16-23(17-33)9-13-32(14-10-23)19-1-2-19/h4-5,11-12,19-20H,1-3,6-10,13-14,16-17H2,(H,30,35)(H,31,34)
InChIKeyAWXXERXUVDWBOB-UHFFFAOYSA-N
MW486.57 g/mol
LogP2.76
Rot. Bonds8

About N-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-4-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide

N-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-4-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide (PubChem CID 76654330) has the molecular formula C25H32F2N6O2 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-4-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-4-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
PubChem CID76654330
Molecular FormulaC25H32F2N6O2
Molecular Weight486.57 g/mol
Exact Mass486.26
IUPAC NameN-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-4-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESN#CC1(NC(=O)C(CCC(F)(F)c2ccncc2)NC(=O)N2CC3(CCN(C4CC4)CC3)C2)CC1
InChIInChI=1S/C25H32F2N6O2/c26-25(27,18-4-11-29-12-5-18)6-3-20(21(34)31-24(15-28)7-8-24)30-22(35)33-16-23(17-33)9-13-32(14-10-23)19-1-2-19/h4-5,11-12,19-20H,1-3,6-10,13-14,16-17H2,(H,30,35)(H,31,34)
InChIKeyAWXXERXUVDWBOB-UHFFFAOYSA-N
XLogP2.76
TPSA101.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-4-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-4-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of N-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-4-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide (CID 76654330) is N-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-4-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for N-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-4-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for N-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-4-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide is N#CC1(NC(=O)C(CCC(F)(F)c2ccncc2)NC(=O)N2CC3(CCN(C4CC4)CC3)C2)CC1.
What is the InChIKey of N-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-4-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is AWXXERXUVDWBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N6O2/c26-25(27,18-4-11-29-12-5-18)6-3-20(21(34)31-24(15-28)7-8-24)30-22(35)33-16-23(17-33)9-13-32(14-10-23)19-1-2-19/h4-5,11-12,19-20H,1-3,6-10,13-14,16-17H2,(H,30,35)(H,31,34).
What are the key properties of N-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-4-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
N-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-4-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-4-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 76654330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).