4-(4-fluorophenyl)-N'-(2-pyridin-3-ylacetyl)-3,6-dihydro-2H-pyridine-1-carbohydrazide

C19H19FN4O2 — CID 99804200

IUPAC4-(4-fluorophenyl)-N'-(2-pyridin-3-ylacetyl)-3,6-dihydro-2H-pyridine-1-carbohydrazide
SMILESO=C(Cc1cccnc1)NNC(=O)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19FN4O2/c20-17-5-3-15(4-6-17)16-7-10-24(11-8-16)19(26)23-22-18(25)12-14-2-1-9-21-13-14/h1-7,9,13H,8,10-12H2,(H,22,25)(H,23,26)
InChIKeyABNHDWKFIWJPTR-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.29
Rot. Bonds3

About 4-(4-fluorophenyl)-N'-(2-pyridin-3-ylacetyl)-3,6-dihydro-2H-pyridine-1-carbohydrazide

4-(4-fluorophenyl)-N'-(2-pyridin-3-ylacetyl)-3,6-dihydro-2H-pyridine-1-carbohydrazide (PubChem CID 99804200) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-(2-pyridin-3-ylacetyl)-3,6-dihydro-2H-pyridine-1-carbohydrazide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-(2-pyridin-3-ylacetyl)-3,6-dihydro-2H-pyridine-1-carbohydrazide
PubChem CID99804200
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name4-(4-fluorophenyl)-N'-(2-pyridin-3-ylacetyl)-3,6-dihydro-2H-pyridine-1-carbohydrazide
SMILESO=C(Cc1cccnc1)NNC(=O)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19FN4O2/c20-17-5-3-15(4-6-17)16-7-10-24(11-8-16)19(26)23-22-18(25)12-14-2-1-9-21-13-14/h1-7,9,13H,8,10-12H2,(H,22,25)(H,23,26)
InChIKeyABNHDWKFIWJPTR-UHFFFAOYSA-N
XLogP2.29
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide
CID 166204346
N-benzyl-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 38882796
4-(4-hydroxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 51077542
N-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 3780951
N-[2-(4-fluorophenyl)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44632510
N-[(3-fluorophenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44634149
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 86880058
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone
CID 86911397
1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 55438721
1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 45251610
1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxy-4-methylpentan-1-one
CID 177042462

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-(2-pyridin-3-ylacetyl)-3,6-dihydro-2H-pyridine-1-carbohydrazide?
The IUPAC name of 4-(4-fluorophenyl)-N'-(2-pyridin-3-ylacetyl)-3,6-dihydro-2H-pyridine-1-carbohydrazide (CID 99804200) is 4-(4-fluorophenyl)-N'-(2-pyridin-3-ylacetyl)-3,6-dihydro-2H-pyridine-1-carbohydrazide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-(2-pyridin-3-ylacetyl)-3,6-dihydro-2H-pyridine-1-carbohydrazide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-(2-pyridin-3-ylacetyl)-3,6-dihydro-2H-pyridine-1-carbohydrazide is O=C(Cc1cccnc1)NNC(=O)N1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N'-(2-pyridin-3-ylacetyl)-3,6-dihydro-2H-pyridine-1-carbohydrazide?
The InChIKey is ABNHDWKFIWJPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-17-5-3-15(4-6-17)16-7-10-24(11-8-16)19(26)23-22-18(25)12-14-2-1-9-21-13-14/h1-7,9,13H,8,10-12H2,(H,22,25)(H,23,26).
What are the key properties of 4-(4-fluorophenyl)-N'-(2-pyridin-3-ylacetyl)-3,6-dihydro-2H-pyridine-1-carbohydrazide?
4-(4-fluorophenyl)-N'-(2-pyridin-3-ylacetyl)-3,6-dihydro-2H-pyridine-1-carbohydrazide has a molecular weight of 354.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-(2-pyridin-3-ylacetyl)-3,6-dihydro-2H-pyridine-1-carbohydrazide is sourced from PubChem (CID 99804200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).