(E)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-phenylprop-2-enamide

C16H17N3O2 — CID 28903711

IUPAC(E)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(NCCO)nc1
InChIInChI=1S/C16H17N3O2/c20-11-10-17-15-8-7-14(12-18-15)19-16(21)9-6-13-4-2-1-3-5-13/h1-9,12,20H,10-11H2,(H,17,18)(H,19,21)/b9-6+
InChIKeyRKBKZTVJBNYTHD-RMKNXTFCSA-N
MW283.33 g/mol
LogP2.14
Rot. Bonds6

About (E)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-phenylprop-2-enamide

(E)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-phenylprop-2-enamide (PubChem CID 28903711) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is (E)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-phenylprop-2-enamide
PubChem CID28903711
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name(E)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(NCCO)nc1
InChIInChI=1S/C16H17N3O2/c20-11-10-17-15-8-7-14(12-18-15)19-16(21)9-6-13-4-2-1-3-5-13/h1-9,12,20H,10-11H2,(H,17,18)(H,19,21)/b9-6+
InChIKeyRKBKZTVJBNYTHD-RMKNXTFCSA-N
XLogP2.14
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-fluorophenyl)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]prop-2-enamide
CID 28903698
(E)-N-[6-(3-hydroxypropylamino)-3-pyridinyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28901940
N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903424
3-phenyl-N-quinolin-3-ylprop-2-enamide
CID 4000416
2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903437
(E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide
CID 71789782
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide
CID 11231080
(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 17102397
1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009091
4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide
CID 2173598
(E)-N-(2H-benzotriazol-5-yl)-3-phenylprop-2-enamide
CID 22614183

Frequently Asked Questions

What is the IUPAC name of (E)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-phenylprop-2-enamide (CID 28903711) is (E)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccc(NCCO)nc1.
What is the InChIKey of (E)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-phenylprop-2-enamide?
The InChIKey is RKBKZTVJBNYTHD-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-11-10-17-15-8-7-14(12-18-15)19-16(21)9-6-13-4-2-1-3-5-13/h1-9,12,20H,10-11H2,(H,17,18)(H,19,21)/b9-6+.
What are the key properties of (E)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-phenylprop-2-enamide?
(E)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-phenylprop-2-enamide has a molecular weight of 283.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 28903711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).