7-[(7H-cyclohepta[b]pyridin-6-ylamino)methyl]-3-nitrosonaphthalene-2-carbaldehyde

C22H17N3O2 — CID 143165745

IUPAC7-[(7H-cyclohepta[b]pyridin-6-ylamino)methyl]-3-nitrosonaphthalene-2-carbaldehyde
SMILESO=Cc1cc2cc(CNC3=Cc4cccnc4C=CC3)ccc2cc1N=O
InChIInChI=1S/C22H17N3O2/c26-14-19-10-18-9-15(6-7-16(18)12-22(19)25-27)13-24-20-4-1-5-21-17(11-20)3-2-8-23-21/h1-3,5-12,14,24H,4,13H2
InChIKeyUGJAABFWUHPKTR-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.99
Rot. Bonds5

About 7-[(7H-cyclohepta[b]pyridin-6-ylamino)methyl]-3-nitrosonaphthalene-2-carbaldehyde

7-[(7H-cyclohepta[b]pyridin-6-ylamino)methyl]-3-nitrosonaphthalene-2-carbaldehyde (PubChem CID 143165745) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 7-[(7H-cyclohepta[b]pyridin-6-ylamino)methyl]-3-nitrosonaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name7-[(7H-cyclohepta[b]pyridin-6-ylamino)methyl]-3-nitrosonaphthalene-2-carbaldehyde
PubChem CID143165745
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name7-[(7H-cyclohepta[b]pyridin-6-ylamino)methyl]-3-nitrosonaphthalene-2-carbaldehyde
SMILESO=Cc1cc2cc(CNC3=Cc4cccnc4C=CC3)ccc2cc1N=O
InChIInChI=1S/C22H17N3O2/c26-14-19-10-18-9-15(6-7-16(18)12-22(19)25-27)13-24-20-4-1-5-21-17(11-20)3-2-8-23-21/h1-3,5-12,14,24H,4,13H2
InChIKeyUGJAABFWUHPKTR-UHFFFAOYSA-N
XLogP4.99
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(7H-cyclohepta[b]pyridin-6-ylamino)methyl]-3-nitrosonaphthalene-2-carbaldehyde?
The IUPAC name of 7-[(7H-cyclohepta[b]pyridin-6-ylamino)methyl]-3-nitrosonaphthalene-2-carbaldehyde (CID 143165745) is 7-[(7H-cyclohepta[b]pyridin-6-ylamino)methyl]-3-nitrosonaphthalene-2-carbaldehyde.
What is the SMILES notation for 7-[(7H-cyclohepta[b]pyridin-6-ylamino)methyl]-3-nitrosonaphthalene-2-carbaldehyde?
The canonical SMILES for 7-[(7H-cyclohepta[b]pyridin-6-ylamino)methyl]-3-nitrosonaphthalene-2-carbaldehyde is O=Cc1cc2cc(CNC3=Cc4cccnc4C=CC3)ccc2cc1N=O.
What is the InChIKey of 7-[(7H-cyclohepta[b]pyridin-6-ylamino)methyl]-3-nitrosonaphthalene-2-carbaldehyde?
The InChIKey is UGJAABFWUHPKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-14-19-10-18-9-15(6-7-16(18)12-22(19)25-27)13-24-20-4-1-5-21-17(11-20)3-2-8-23-21/h1-3,5-12,14,24H,4,13H2.
What are the key properties of 7-[(7H-cyclohepta[b]pyridin-6-ylamino)methyl]-3-nitrosonaphthalene-2-carbaldehyde?
7-[(7H-cyclohepta[b]pyridin-6-ylamino)methyl]-3-nitrosonaphthalene-2-carbaldehyde has a molecular weight of 355.40 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(7H-cyclohepta[b]pyridin-6-ylamino)methyl]-3-nitrosonaphthalene-2-carbaldehyde is sourced from PubChem (CID 143165745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).