tert-butyl N-[3,5-dichloro-4-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]-2-pyridinyl]carbamate

C22H23Cl2F2N3O5 — CID 155931148

IUPACtert-butyl N-[3,5-dichloro-4-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(Cl)c(NC(=O)c2ccc(OC(F)F)c(OCC3CC3)c2)c1Cl
InChIInChI=1S/C22H23Cl2F2N3O5/c1-22(2,3)34-21(31)29-18-16(24)17(13(23)9-27-18)28-19(30)12-6-7-14(33-20(25)26)15(8-12)32-10-11-4-5-11/h6-9,11,20H,4-5,10H2,1-3H3,(H2,27,28,29,30,31)
InChIKeyUTLIATPFATVCFS-UHFFFAOYSA-N
MW518.34 g/mol
LogP6.38
Rot. Bonds8

About tert-butyl N-[3,5-dichloro-4-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]-2-pyridinyl]carbamate

tert-butyl N-[3,5-dichloro-4-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]-2-pyridinyl]carbamate (PubChem CID 155931148) has the molecular formula C22H23Cl2F2N3O5 and a molecular weight of 518.34 g/mol. Its IUPAC name is tert-butyl N-[3,5-dichloro-4-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3,5-dichloro-4-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]-2-pyridinyl]carbamate
PubChem CID155931148
Molecular FormulaC22H23Cl2F2N3O5
Molecular Weight518.34 g/mol
Exact Mass517.10
IUPAC Nametert-butyl N-[3,5-dichloro-4-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(Cl)c(NC(=O)c2ccc(OC(F)F)c(OCC3CC3)c2)c1Cl
InChIInChI=1S/C22H23Cl2F2N3O5/c1-22(2,3)34-21(31)29-18-16(24)17(13(23)9-27-18)28-19(30)12-6-7-14(33-20(25)26)15(8-12)32-10-11-4-5-11/h6-9,11,20H,4-5,10H2,1-3H3,(H2,27,28,29,30,31)
InChIKeyUTLIATPFATVCFS-UHFFFAOYSA-N
XLogP6.38
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.34
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3,5-dichloro-4-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]-2-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Roflumilast
CID 449193
Piclamilast
CID 154575
3-Cyclohexyloxy-N-(3,5-dichloro-pyridin-4-yl)-4-methoxy-benzamide
CID 10000753
3-Butoxy-N-(3,5-dichloro-pyridin-4-yl)-4-methoxy-benzamide
CID 10021978
N-(3,5-Dichloro-pyridin-4-yl)-3,4-dimethoxy-benzamide
CID 10042087
Benzamide,n-(3-chloro-2-pyridinyl)-3-(cyclopentyloxy)-4-methoxy-
CID 10089015
N-(3-Chloro-4-pyridinyl)-3-(cyclopentyloxy)-4-methoxybenzamide
CID 10383026
N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-3-[4-(2-oxooxolan-3-yl)sulfanylbutoxy]benzamide
CID 71254628
2-[3-[5-[(3,5-Dichloropyridin-4-yl)carbamoyl]-2-(difluoromethoxy)phenoxy]propylamino]acetic acid
CID 71254723
N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-3-[4-[(2-oxooxolan-3-yl)amino]butoxy]benzamide
CID 71254931
2-[4-[5-[(3,5-Dichloropyridin-4-yl)carbamoyl]-2-(difluoromethoxy)phenoxy]butylamino]-4-hydroxybutanoic acid
CID 71262535
2-[3-[5-[(3,5-Dichloropyridin-4-yl)carbamoyl]-2-(difluoromethoxy)phenoxy]propylamino]-4-hydroxybutanoic acid
CID 71262536

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3,5-dichloro-4-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[3,5-dichloro-4-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]-2-pyridinyl]carbamate (CID 155931148) is tert-butyl N-[3,5-dichloro-4-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[3,5-dichloro-4-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[3,5-dichloro-4-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ncc(Cl)c(NC(=O)c2ccc(OC(F)F)c(OCC3CC3)c2)c1Cl.
What is the InChIKey of tert-butyl N-[3,5-dichloro-4-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]-2-pyridinyl]carbamate?
The InChIKey is UTLIATPFATVCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2F2N3O5/c1-22(2,3)34-21(31)29-18-16(24)17(13(23)9-27-18)28-19(30)12-6-7-14(33-20(25)26)15(8-12)32-10-11-4-5-11/h6-9,11,20H,4-5,10H2,1-3H3,(H2,27,28,29,30,31).
What are the key properties of tert-butyl N-[3,5-dichloro-4-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]-2-pyridinyl]carbamate?
tert-butyl N-[3,5-dichloro-4-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]-2-pyridinyl]carbamate has a molecular weight of 518.34 g/mol, XLogP of 6.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3,5-dichloro-4-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]-2-pyridinyl]carbamate is sourced from PubChem (CID 155931148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).