6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide

C17H18FN3O2 — CID 133351553

IUPAC6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NCC(O)c2ccccc2F)nc1
InChIInChI=1S/C17H18FN3O2/c1-2-9-19-17(23)12-7-8-16(20-10-12)21-11-15(22)13-5-3-4-6-14(13)18/h2-8,10,15,22H,1,9,11H2,(H,19,23)(H,20,21)
InChIKeyDCRSASAXRJHSJN-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.28
Rot. Bonds7

About 6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide

6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 133351553) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID133351553
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NCC(O)c2ccccc2F)nc1
InChIInChI=1S/C17H18FN3O2/c1-2-9-19-17(23)12-7-8-16(20-10-12)21-11-15(22)13-5-3-4-6-14(13)18/h2-8,10,15,22H,1,9,11H2,(H,19,23)(H,20,21)
InChIKeyDCRSASAXRJHSJN-UHFFFAOYSA-N
XLogP2.28
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133302745
2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol
CID 133351470
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea
CID 47176500
6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133306917
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 111566028
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510
[6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133351592
6-phenyl-N-prop-2-enylpyridine-3-carboxamide
CID 110683620
N-[2-(4-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridine-3-carboxamide
CID 109151422
6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133350466
N-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide
CID 111566124
2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide
CID 74237551

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide (CID 133351553) is 6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(NCC(O)c2ccccc2F)nc1.
What is the InChIKey of 6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is DCRSASAXRJHSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-2-9-19-17(23)12-7-8-16(20-10-12)21-11-15(22)13-5-3-4-6-14(13)18/h2-8,10,15,22H,1,9,11H2,(H,19,23)(H,20,21).
What are the key properties of 6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide?
6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 133351553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).