N-(3,5-dichloro-2-pyridinyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide

C23H20Cl2N4O3 — CID 5261542

IUPACN-(3,5-dichloro-2-pyridinyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)Nc3ncc(Cl)cc3Cl)(c3nc4cc5c(cc4nc31)OCO5)C2(C)C
InChIInChI=1S/C23H20Cl2N4O3/c1-21(2)22(3)4-5-23(21,20(30)29-19-12(25)6-11(24)9-26-19)18-17(22)27-13-7-15-16(32-10-31-15)8-14(13)28-18/h6-9H,4-5,10H2,1-3H3,(H,26,29,30)
InChIKeyHHWGAAAWFNIMIU-UHFFFAOYSA-N
MW471.34 g/mol
LogP5.03
Rot. Bonds2

About N-(3,5-dichloro-2-pyridinyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide

N-(3,5-dichloro-2-pyridinyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide (PubChem CID 5261542) has the molecular formula C23H20Cl2N4O3 and a molecular weight of 471.34 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
PubChem CID5261542
Molecular FormulaC23H20Cl2N4O3
Molecular Weight471.34 g/mol
Exact Mass470.09
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)Nc3ncc(Cl)cc3Cl)(c3nc4cc5c(cc4nc31)OCO5)C2(C)C
InChIInChI=1S/C23H20Cl2N4O3/c1-21(2)22(3)4-5-23(21,20(30)29-19-12(25)6-11(24)9-26-19)18-17(22)27-13-7-15-16(32-10-31-15)8-14(13)28-18/h6-9H,4-5,10H2,1-3H3,(H,26,29,30)
InChIKeyHHWGAAAWFNIMIU-UHFFFAOYSA-N
XLogP5.03
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.34
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,5-dichloro-2-pyridinyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide with MolForge

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Related Compounds

N-(2,6-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
CID 5261536
N-(3,4-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
CID 5261236
N-(3-chloro-2-methylphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
CID 3271487
N'-(2,4-dichlorobenzoyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide
CID 5261613
N-(5-chloro-2-methoxyphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
CID 3271491
15,18,18-trimethyl-N-(1,3-thiazol-2-yl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
CID 5261471
N'-[2-(2,4-dichlorophenoxy)acetyl]-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide
CID 5261645
15,18,18-trimethyl-N',N'-diphenyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide
CID 5261463
6,7-dichloro-N-(2,4-dichlorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 3248495
15,18,18-trimethyl-N'-(4-methylbenzoyl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide
CID 5261577
6,7-dichloro-N',N',12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
CID 5197099
6,7-dichloro-12,15,15-trimethyl-N-pyridin-2-yl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 5197303

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide (CID 5261542) is N-(3,5-dichloro-2-pyridinyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide is CC12CCC(C(=O)Nc3ncc(Cl)cc3Cl)(c3nc4cc5c(cc4nc31)OCO5)C2(C)C.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide?
The InChIKey is HHWGAAAWFNIMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O3/c1-21(2)22(3)4-5-23(21,20(30)29-19-12(25)6-11(24)9-26-19)18-17(22)27-13-7-15-16(32-10-31-15)8-14(13)28-18/h6-9H,4-5,10H2,1-3H3,(H,26,29,30).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide?
N-(3,5-dichloro-2-pyridinyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide has a molecular weight of 471.34 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide is sourced from PubChem (CID 5261542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).