N'-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carbohydrazide

C23H24ClFN4O3 — CID 156784539

IUPACN'-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carbohydrazide
SMILESCC(C)c1cnc(-c2cc(Cl)ccc2F)cc1NN(C(=O)c1cccnc1)C(CO)CO
InChIInChI=1S/C23H24ClFN4O3/c1-14(2)19-11-27-21(18-8-16(24)5-6-20(18)25)9-22(19)28-29(17(12-30)13-31)23(32)15-4-3-7-26-10-15/h3-11,14,17,30-31H,12-13H2,1-2H3,(H,27,28)
InChIKeyRBBFJVRQTDOARB-UHFFFAOYSA-N
MW458.92 g/mol
LogP3.88
Rot. Bonds8

About N'-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carbohydrazide

N'-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carbohydrazide (PubChem CID 156784539) has the molecular formula C23H24ClFN4O3 and a molecular weight of 458.92 g/mol. Its IUPAC name is N'-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carbohydrazide
PubChem CID156784539
Molecular FormulaC23H24ClFN4O3
Molecular Weight458.92 g/mol
Exact Mass458.15
IUPAC NameN'-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carbohydrazide
SMILESCC(C)c1cnc(-c2cc(Cl)ccc2F)cc1NN(C(=O)c1cccnc1)C(CO)CO
InChIInChI=1S/C23H24ClFN4O3/c1-14(2)19-11-27-21(18-8-16(24)5-6-20(18)25)9-22(19)28-29(17(12-30)13-31)23(32)15-4-3-7-26-10-15/h3-11,14,17,30-31H,12-13H2,1-2H3,(H,27,28)
InChIKeyRBBFJVRQTDOARB-UHFFFAOYSA-N
XLogP3.88
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.92
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-3-pyridinyl]methanol
CID 118211486
methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate
CID 118211355
2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-N-[3-[(propan-2-yloxyamino)methyl]-4-pyridinyl]pyridin-4-amine
CID 140890170
5-aminopentan-2-one;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(4-oxopentyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid
CID 159179567
4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
CID 58770378
N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 118211266
4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 118211560
but-2-ene;4-[[2-(2,5-difluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-propylpyridine-3-carboxamide
CID 144881563
4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 118211840
3-[3-(2,4-dichlorophenyl)but-1-en-2-yl]pyridine
CID 19817057
2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine
CID 70660144
7-chloro-N-propan-2-yl-N-pyridin-3-ylquinoline-2-carboxamide
CID 71974517

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carbohydrazide (CID 156784539) is N'-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carbohydrazide is CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1NN(C(=O)c1cccnc1)C(CO)CO.
What is the InChIKey of N'-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carbohydrazide?
The InChIKey is RBBFJVRQTDOARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O3/c1-14(2)19-11-27-21(18-8-16(24)5-6-20(18)25)9-22(19)28-29(17(12-30)13-31)23(32)15-4-3-7-26-10-15/h3-11,14,17,30-31H,12-13H2,1-2H3,(H,27,28).
What are the key properties of N'-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carbohydrazide?
N'-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carbohydrazide has a molecular weight of 458.92 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carbohydrazide is sourced from PubChem (CID 156784539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).