N-[(1S,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-yl]formamide

C17H22N2O — CID 91421945

IUPACN-[(1S,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-yl]formamide
SMILESO=CNC1CC[C@H]2[C@H]3Cc4ccccc4[C@@]2(CCN3)C1
InChIInChI=1S/C17H22N2O/c20-11-19-13-5-6-15-16-9-12-3-1-2-4-14(12)17(15,10-13)7-8-18-16/h1-4,11,13,15-16,18H,5-10H2,(H,19,20)/t13?,15-,16+,17+/m0/s1
InChIKeySXANROAPCLADSR-ZKWWWUMQSA-N
MW270.38 g/mol
LogP1.76
Rot. Bonds2

About N-[(1S,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-yl]formamide

N-[(1S,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-yl]formamide (PubChem CID 91421945) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(1S,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-yl]formamide.

Molecular Properties

Compound NameN-[(1S,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-yl]formamide
PubChem CID91421945
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(1S,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-yl]formamide
SMILESO=CNC1CC[C@H]2[C@H]3Cc4ccccc4[C@@]2(CCN3)C1
InChIInChI=1S/C17H22N2O/c20-11-19-13-5-6-15-16-9-12-3-1-2-4-14(12)17(15,10-13)7-8-18-16/h1-4,11,13,15-16,18H,5-10H2,(H,19,20)/t13?,15-,16+,17+/m0/s1
InChIKeySXANROAPCLADSR-ZKWWWUMQSA-N
XLogP1.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1S,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-yl]formamide 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

(1S,9R,10R,13R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-amine
CID 67127311
(1R,9R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene
CID 89494612
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene;hydrate;hydrochloride
CID 141299651
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene;prop-2-enamide
CID 157253048
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene;pyridine
CID 174749562
(1S,10R)-4,5,20-triazapentacyclo[8.7.3.01,9.03,7.012,17]icosa-12,14,16-triene
CID 168721617
(1S,9R,10R,13S)-13-(methylamino)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-6-ol
CID 90870697
(1S,9R,10R,12S)-12-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one
CID 54005917
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene;3,4-dichloro-N-methylbenzamide
CID 159280136
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene;1-benzofuran
CID 69251527
(1R,9R,10R)-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraene
CID 70461251
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene;2-(3,4-dichlorophenyl)acetamide
CID 162031949

Frequently Asked Questions

What is the IUPAC name of N-[(1S,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-yl]formamide?
The IUPAC name of N-[(1S,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-yl]formamide (CID 91421945) is N-[(1S,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-yl]formamide.
What is the SMILES notation for N-[(1S,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-yl]formamide?
The canonical SMILES for N-[(1S,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-yl]formamide is O=CNC1CC[C@H]2[C@H]3Cc4ccccc4[C@@]2(CCN3)C1.
What is the InChIKey of N-[(1S,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-yl]formamide?
The InChIKey is SXANROAPCLADSR-ZKWWWUMQSA-N. The full InChI is InChI=1S/C17H22N2O/c20-11-19-13-5-6-15-16-9-12-3-1-2-4-14(12)17(15,10-13)7-8-18-16/h1-4,11,13,15-16,18H,5-10H2,(H,19,20)/t13?,15-,16+,17+/m0/s1.
What are the key properties of N-[(1S,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-yl]formamide?
N-[(1S,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-yl]formamide has a molecular weight of 270.38 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-yl]formamide is sourced from PubChem (CID 91421945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).