4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline

C19H22N4O — CID 123493964

IUPAC4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline
SMILES[H]/N=C(\c1ccnc(N2CCCC2)c1)c1cc(OC2CC2)ccc1N
InChIInChI=1S/C19H22N4O/c20-17-6-5-15(24-14-3-4-14)12-16(17)19(21)13-7-8-22-18(11-13)23-9-1-2-10-23/h5-8,11-12,14,21H,1-4,9-10,20H2/b21-19+
InChIKeyMCRWXPDBHOLONI-XUTLUUPISA-N
MW322.41 g/mol
LogP3.22
Rot. Bonds5

About 4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline

4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline (PubChem CID 123493964) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline.

Molecular Properties

Compound Name4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline
PubChem CID123493964
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline
SMILES[H]/N=C(\c1ccnc(N2CCCC2)c1)c1cc(OC2CC2)ccc1N
InChIInChI=1S/C19H22N4O/c20-17-6-5-15(24-14-3-4-14)12-16(17)19(21)13-7-8-22-18(11-13)23-9-1-2-10-23/h5-8,11-12,14,21H,1-4,9-10,20H2/b21-19+
InChIKeyMCRWXPDBHOLONI-XUTLUUPISA-N
XLogP3.22
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline?
The IUPAC name of 4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline (CID 123493964) is 4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline.
What is the SMILES notation for 4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline?
The canonical SMILES for 4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline is [H]/N=C(\c1ccnc(N2CCCC2)c1)c1cc(OC2CC2)ccc1N.
What is the InChIKey of 4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline?
The InChIKey is MCRWXPDBHOLONI-XUTLUUPISA-N. The full InChI is InChI=1S/C19H22N4O/c20-17-6-5-15(24-14-3-4-14)12-16(17)19(21)13-7-8-22-18(11-13)23-9-1-2-10-23/h5-8,11-12,14,21H,1-4,9-10,20H2/b21-19+.
What are the key properties of 4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline?
4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline has a molecular weight of 322.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline is sourced from PubChem (CID 123493964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).