N'-(6-methoxy-3-pyridinyl)-N,N,3,8-tetramethyl-5-propan-2-ylazulene-1-carboximidamide

C24H29N3O — CID 139705186

IUPACN'-(6-methoxy-3-pyridinyl)-N,N,3,8-tetramethyl-5-propan-2-ylazulene-1-carboximidamide
SMILESCOc1ccc(/N=C(/c2cc(C)c3cc(C(C)C)ccc(C)c2-3)N(C)C)cn1
InChIInChI=1S/C24H29N3O/c1-15(2)18-9-8-16(3)23-20(13-18)17(4)12-21(23)24(27(5)6)26-19-10-11-22(28-7)25-14-19/h8-15H,1-7H3/b26-24-
InChIKeyCNNYQZPYXPNRHM-LCUIJRPUSA-N
MW375.52 g/mol
LogP5.58
Rot. Bonds4

About N'-(6-methoxy-3-pyridinyl)-N,N,3,8-tetramethyl-5-propan-2-ylazulene-1-carboximidamide

N'-(6-methoxy-3-pyridinyl)-N,N,3,8-tetramethyl-5-propan-2-ylazulene-1-carboximidamide (PubChem CID 139705186) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N'-(6-methoxy-3-pyridinyl)-N,N,3,8-tetramethyl-5-propan-2-ylazulene-1-carboximidamide.

Molecular Properties

Compound NameN'-(6-methoxy-3-pyridinyl)-N,N,3,8-tetramethyl-5-propan-2-ylazulene-1-carboximidamide
PubChem CID139705186
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN'-(6-methoxy-3-pyridinyl)-N,N,3,8-tetramethyl-5-propan-2-ylazulene-1-carboximidamide
SMILESCOc1ccc(/N=C(/c2cc(C)c3cc(C(C)C)ccc(C)c2-3)N(C)C)cn1
InChIInChI=1S/C24H29N3O/c1-15(2)18-9-8-16(3)23-20(13-18)17(4)12-21(23)24(27(5)6)26-19-10-11-22(28-7)25-14-19/h8-15H,1-7H3/b26-24-
InChIKeyCNNYQZPYXPNRHM-LCUIJRPUSA-N
XLogP5.58
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(6-methoxy-3-pyridinyl)-N,N,3,8-tetramethyl-5-propan-2-ylazulene-1-carboximidamide?
The IUPAC name of N'-(6-methoxy-3-pyridinyl)-N,N,3,8-tetramethyl-5-propan-2-ylazulene-1-carboximidamide (CID 139705186) is N'-(6-methoxy-3-pyridinyl)-N,N,3,8-tetramethyl-5-propan-2-ylazulene-1-carboximidamide.
What is the SMILES notation for N'-(6-methoxy-3-pyridinyl)-N,N,3,8-tetramethyl-5-propan-2-ylazulene-1-carboximidamide?
The canonical SMILES for N'-(6-methoxy-3-pyridinyl)-N,N,3,8-tetramethyl-5-propan-2-ylazulene-1-carboximidamide is COc1ccc(/N=C(/c2cc(C)c3cc(C(C)C)ccc(C)c2-3)N(C)C)cn1.
What is the InChIKey of N'-(6-methoxy-3-pyridinyl)-N,N,3,8-tetramethyl-5-propan-2-ylazulene-1-carboximidamide?
The InChIKey is CNNYQZPYXPNRHM-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H29N3O/c1-15(2)18-9-8-16(3)23-20(13-18)17(4)12-21(23)24(27(5)6)26-19-10-11-22(28-7)25-14-19/h8-15H,1-7H3/b26-24-.
What are the key properties of N'-(6-methoxy-3-pyridinyl)-N,N,3,8-tetramethyl-5-propan-2-ylazulene-1-carboximidamide?
N'-(6-methoxy-3-pyridinyl)-N,N,3,8-tetramethyl-5-propan-2-ylazulene-1-carboximidamide has a molecular weight of 375.52 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methoxy-3-pyridinyl)-N,N,3,8-tetramethyl-5-propan-2-ylazulene-1-carboximidamide is sourced from PubChem (CID 139705186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).