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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Related Compounds

(3S)-1-[4-(2-amino-5-cyclopropyloxybenzenecarboximidoyl)-2-pyridinyl]pyrrolidin-3-ol
CID 131969653
4-cyclopropyloxy-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)pyridine-4-carboximidoyl]aniline
CID 144697454
4-cyclopropyloxy-2-[2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-4-carboximidoyl]aniline
CID 123668060
molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline
CID 144695104
2-[2-(4-methoxypiperidin-1-yl)pyridine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123591282
4-ethoxy-2-[2-(3-methoxyazetidin-1-yl)pyridine-4-carboximidoyl]aniline
CID 144697647
(3R)-1-[4-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]-2-pyridinyl]pyrrolidin-3-amine
CID 131969524
2-[2-[(3R)-3-methylpyrrolidin-1-yl]pyridine-4-carboximidoyl]-4-(trifluoromethoxy)aniline
CID 144697617
4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline
CID 153099789
molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline
CID 144697556
2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridine-4-carboximidoyl]benzene-1,4-diamine
CID 159549771
(NZ)-N-[1-[4-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]piperazin-1-yl]-1-iminopropan-2-ylidene]hydroxylamine
CID 144697636

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).