N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide

C19H17N3O — CID 10214961

IUPACN-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide
SMILESO=C(NC1CC1)c1ccc2[nH]nc3c2c1CCc1ccccc1-3
InChIInChI=1S/C19H17N3O/c23-19(20-12-6-7-12)15-9-10-16-17-14(15)8-5-11-3-1-2-4-13(11)18(17)22-21-16/h1-4,9-10,12H,5-8H2,(H,20,23)(H,21,22)
InChIKeyMCCZPPTUGVRWHC-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.22
Rot. Bonds2

About N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide

N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide (PubChem CID 10214961) has the molecular formula C19H17N3O and a molecular weight of 303.36 g/mol. Its IUPAC name is N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide
PubChem CID10214961
Molecular FormulaC19H17N3O
Molecular Weight303.36 g/mol
Exact Mass303.14
IUPAC NameN-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide
SMILESO=C(NC1CC1)c1ccc2[nH]nc3c2c1CCc1ccccc1-3
InChIInChI=1S/C19H17N3O/c23-19(20-12-6-7-12)15-9-10-16-17-14(15)8-5-11-3-1-2-4-13(11)18(17)22-21-16/h1-4,9-10,12H,5-8H2,(H,20,23)(H,21,22)
InChIKeyMCCZPPTUGVRWHC-UHFFFAOYSA-N
XLogP3.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide?
The IUPAC name of N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide (CID 10214961) is N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide.
What is the SMILES notation for N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide?
The canonical SMILES for N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide is O=C(NC1CC1)c1ccc2[nH]nc3c2c1CCc1ccccc1-3.
What is the InChIKey of N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide?
The InChIKey is MCCZPPTUGVRWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-19(20-12-6-7-12)15-9-10-16-17-14(15)8-5-11-3-1-2-4-13(11)18(17)22-21-16/h1-4,9-10,12H,5-8H2,(H,20,23)(H,21,22).
What are the key properties of N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide?
N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide is sourced from PubChem (CID 10214961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).