N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)pyridine-3-carboxamide

C23H20ClN7O4 — CID 11363905

IUPACN-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)pyridine-3-carboxamide
SMILESN#Cc1ncc2nc1OCCCCCOc1cc(NC(=O)c3cccnc3)c(Cl)cc1NC(=O)N2
InChIInChI=1S/C23H20ClN7O4/c24-15-9-17-19(10-16(15)28-21(32)14-5-4-6-26-12-14)34-7-2-1-3-8-35-22-18(11-25)27-13-20(30-22)31-23(33)29-17/h4-6,9-10,12-13H,1-3,7-8H2,(H,28,32)(H2,29,30,31,33)
InChIKeyHQUYQKBHKQPAQX-UHFFFAOYSA-N
MW493.91 g/mol
LogP4.23
Rot. Bonds2

About N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)pyridine-3-carboxamide

N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)pyridine-3-carboxamide (PubChem CID 11363905) has the molecular formula C23H20ClN7O4 and a molecular weight of 493.91 g/mol. Its IUPAC name is N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)pyridine-3-carboxamide
PubChem CID11363905
Molecular FormulaC23H20ClN7O4
Molecular Weight493.91 g/mol
Exact Mass493.13
IUPAC NameN-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)pyridine-3-carboxamide
SMILESN#Cc1ncc2nc1OCCCCCOc1cc(NC(=O)c3cccnc3)c(Cl)cc1NC(=O)N2
InChIInChI=1S/C23H20ClN7O4/c24-15-9-17-19(10-16(15)28-21(32)14-5-4-6-26-12-14)34-7-2-1-3-8-35-22-18(11-25)27-13-20(30-22)31-23(33)29-17/h4-6,9-10,12-13H,1-3,7-8H2,(H,28,32)(H2,29,30,31,33)
InChIKeyHQUYQKBHKQPAQX-UHFFFAOYSA-N
XLogP4.23
TPSA151.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.91
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

8-chloro-3-oxo-11,16-dioxa-2,4,19,21-tetrazatricyclo[15.3.1.05,10]henicosa-1(20),5(10),6,8,17(21),18-hexaene-18-carbonitrile
CID 11245327
N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)-6-morpholin-4-ylpyridine-3-sulfonamide
CID 11215676
N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide
CID 110778271
7-chloro-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5(10),6,8,18(22),19-hexaen-3-one
CID 11348631
N-(2-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64787918
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide
CID 55620019
N-[3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 46409815
N-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride
CID 75415042
N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide
CID 2850411
N-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride
CID 110777674
N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
CID 82708795
N-(3,4-dihydro-2H-chromen-8-yl)pyridine-3-carboxamide
CID 110870764

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)pyridine-3-carboxamide?
The IUPAC name of N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)pyridine-3-carboxamide (CID 11363905) is N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)pyridine-3-carboxamide is N#Cc1ncc2nc1OCCCCCOc1cc(NC(=O)c3cccnc3)c(Cl)cc1NC(=O)N2.
What is the InChIKey of N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)pyridine-3-carboxamide?
The InChIKey is HQUYQKBHKQPAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7O4/c24-15-9-17-19(10-16(15)28-21(32)14-5-4-6-26-12-14)34-7-2-1-3-8-35-22-18(11-25)27-13-20(30-22)31-23(33)29-17/h4-6,9-10,12-13H,1-3,7-8H2,(H,28,32)(H2,29,30,31,33).
What are the key properties of N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)pyridine-3-carboxamide?
N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)pyridine-3-carboxamide has a molecular weight of 493.91 g/mol, XLogP of 4.23, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 11363905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).