(10Z)-16-cyano-N-propan-2-yl-13-oxa-2,6,8,19-tetrazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,10,14,16-heptaene-4-carboxamide

C19H20N6O2 — CID 177376484

IUPAC(10Z)-16-cyano-N-propan-2-yl-13-oxa-2,6,8,19-tetrazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,10,14,16-heptaene-4-carboxamide
SMILESCC(C)NC(=O)c1cnc2nc1Nc1cc(C#N)cc(c1)OC/C=C\CN2
InChIInChI=1S/C19H20N6O2/c1-12(2)23-18(26)16-11-22-19-21-5-3-4-6-27-15-8-13(10-20)7-14(9-15)24-17(16)25-19/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,23,26)(H2,21,22,24,25)/b4-3-
InChIKeyYPCHDIQOJDQWRM-ARJAWSKDSA-N
MW364.41 g/mol
LogP2.59
Rot. Bonds2

About (10Z)-16-cyano-N-propan-2-yl-13-oxa-2,6,8,19-tetrazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,10,14,16-heptaene-4-carboxamide

(10Z)-16-cyano-N-propan-2-yl-13-oxa-2,6,8,19-tetrazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,10,14,16-heptaene-4-carboxamide (PubChem CID 177376484) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is (10Z)-16-cyano-N-propan-2-yl-13-oxa-2,6,8,19-tetrazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,10,14,16-heptaene-4-carboxamide.

Molecular Properties

Compound Name(10Z)-16-cyano-N-propan-2-yl-13-oxa-2,6,8,19-tetrazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,10,14,16-heptaene-4-carboxamide
PubChem CID177376484
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name(10Z)-16-cyano-N-propan-2-yl-13-oxa-2,6,8,19-tetrazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,10,14,16-heptaene-4-carboxamide
SMILESCC(C)NC(=O)c1cnc2nc1Nc1cc(C#N)cc(c1)OC/C=C\CN2
InChIInChI=1S/C19H20N6O2/c1-12(2)23-18(26)16-11-22-19-21-5-3-4-6-27-15-8-13(10-20)7-14(9-15)24-17(16)25-19/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,23,26)(H2,21,22,24,25)/b4-3-
InChIKeyYPCHDIQOJDQWRM-ARJAWSKDSA-N
XLogP2.59
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (10Z)-16-cyano-N-propan-2-yl-13-oxa-2,6,8,19-tetrazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,10,14,16-heptaene-4-carboxamide with MolForge

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Related Compounds

2-cyano-4-[(2,2-dimethylpropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 16108891
2-cyano-4-(cyclohexylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 16108901
4-[(4-Methoxypyrimidin-2-Yl)amino]-2-[(3-Methylbut-2-En-1-Yl)oxy]benzonitrile
CID 16074556
2-(3-methoxy-phenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid, N-benzylamide
CID 10453719
2-(3-Methylbut-2-enoxy)-4-(pyrimidin-2-ylamino)benzonitrile
CID 15956122
2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 72793335
8-Cyclopentyl-2-(3-methoxyanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 76321576
US10590140, Example 238
CID 132088987
US10590140, Example 149
CID 132089090
US10590140, Example 150
CID 132089355
(10Z)-N-[4-[2-(diethylamino)ethylcarbamoyl]cyclohexyl]-15-methyl-13-oxa-2,6,8,19-tetrazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,10,14,16-heptaene-4-carboxamide
CID 171391782
3-({4-[(3-Methoxyphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138029

Frequently Asked Questions

What is the IUPAC name of (10Z)-16-cyano-N-propan-2-yl-13-oxa-2,6,8,19-tetrazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,10,14,16-heptaene-4-carboxamide?
The IUPAC name of (10Z)-16-cyano-N-propan-2-yl-13-oxa-2,6,8,19-tetrazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,10,14,16-heptaene-4-carboxamide (CID 177376484) is (10Z)-16-cyano-N-propan-2-yl-13-oxa-2,6,8,19-tetrazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,10,14,16-heptaene-4-carboxamide.
What is the SMILES notation for (10Z)-16-cyano-N-propan-2-yl-13-oxa-2,6,8,19-tetrazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,10,14,16-heptaene-4-carboxamide?
The canonical SMILES for (10Z)-16-cyano-N-propan-2-yl-13-oxa-2,6,8,19-tetrazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,10,14,16-heptaene-4-carboxamide is CC(C)NC(=O)c1cnc2nc1Nc1cc(C#N)cc(c1)OC/C=C\CN2.
What is the InChIKey of (10Z)-16-cyano-N-propan-2-yl-13-oxa-2,6,8,19-tetrazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,10,14,16-heptaene-4-carboxamide?
The InChIKey is YPCHDIQOJDQWRM-ARJAWSKDSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-12(2)23-18(26)16-11-22-19-21-5-3-4-6-27-15-8-13(10-20)7-14(9-15)24-17(16)25-19/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,23,26)(H2,21,22,24,25)/b4-3-.
What are the key properties of (10Z)-16-cyano-N-propan-2-yl-13-oxa-2,6,8,19-tetrazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,10,14,16-heptaene-4-carboxamide?
(10Z)-16-cyano-N-propan-2-yl-13-oxa-2,6,8,19-tetrazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,10,14,16-heptaene-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-16-cyano-N-propan-2-yl-13-oxa-2,6,8,19-tetrazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,10,14,16-heptaene-4-carboxamide is sourced from PubChem (CID 177376484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).