4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline

C20H24N6 — CID 153099789

IUPAC4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline
SMILES[H]/N=C(\c1ccnc(N2CCCC2)c1)c1cc(C(=CN)/C=N/C)ccc1N
InChIInChI=1S/C20H24N6/c1-24-13-16(12-21)14-4-5-18(22)17(10-14)20(23)15-6-7-25-19(11-15)26-8-2-3-9-26/h4-7,10-13,23H,2-3,8-9,21-22H2,1H3/b16-12?,23-20+,24-13+
InChIKeyPQDUGRWKODUFBM-NSNDJKSXSA-N
MW348.45 g/mol
LogP2.68
Rot. Bonds5

About 4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline

4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline (PubChem CID 153099789) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline.

Molecular Properties

Compound Name4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline
PubChem CID153099789
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline
SMILES[H]/N=C(\c1ccnc(N2CCCC2)c1)c1cc(C(=CN)/C=N/C)ccc1N
InChIInChI=1S/C20H24N6/c1-24-13-16(12-21)14-4-5-18(22)17(10-14)20(23)15-6-7-25-19(11-15)26-8-2-3-9-26/h4-7,10-13,23H,2-3,8-9,21-22H2,1H3/b16-12?,23-20+,24-13+
InChIKeyPQDUGRWKODUFBM-NSNDJKSXSA-N
XLogP2.68
TPSA104.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline
CID 123493964
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
2-[2-(4-methoxypiperidin-1-yl)pyridine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123591282
(NZ)-N-[1-[4-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]piperazin-1-yl]-1-iminopropan-2-ylidene]hydroxylamine
CID 144697636
2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline
CID 144697869
4-[2-(azetidin-1-yl)pyridine-4-carboximidoyl]-6-(4-methoxy-3-pyridinyl)pyridin-3-amine
CID 144795261
4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline
CID 123710007
4-cyclopropyloxy-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)pyridine-4-carboximidoyl]aniline
CID 144697454
2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline
CID 123496232
(3S)-1-[4-(2-amino-5-cyclopropyloxybenzenecarboximidoyl)-2-pyridinyl]pyrrolidin-3-ol
CID 131969653
4-(2-fluoro-4-methoxy-3-pyridinyl)-2-[2-(4-methylsulfinylpiperazin-1-yl)pyridine-4-carboximidoyl]aniline
CID 144697842

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline?
The IUPAC name of 4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline (CID 153099789) is 4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline.
What is the SMILES notation for 4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline?
The canonical SMILES for 4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline is [H]/N=C(\c1ccnc(N2CCCC2)c1)c1cc(C(=CN)/C=N/C)ccc1N.
What is the InChIKey of 4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline?
The InChIKey is PQDUGRWKODUFBM-NSNDJKSXSA-N. The full InChI is InChI=1S/C20H24N6/c1-24-13-16(12-21)14-4-5-18(22)17(10-14)20(23)15-6-7-25-19(11-15)26-8-2-3-9-26/h4-7,10-13,23H,2-3,8-9,21-22H2,1H3/b16-12?,23-20+,24-13+.
What are the key properties of 4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline?
4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline has a molecular weight of 348.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline is sourced from PubChem (CID 153099789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).