4-[6-[5-[3-(1-fluorocyclopropyl)propanoylamino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide

C23H23FN6O2 — CID 168930391

IUPAC4-[6-[5-[3-(1-fluorocyclopropyl)propanoylamino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cnnc(-c3cc(NC(=O)CCC4(F)CC4)cnc3C)c2)ccn1
InChIInChI=1S/C23H23FN6O2/c1-14-18(11-17(13-27-14)29-21(31)3-5-23(24)6-7-23)19-10-16(12-28-30-19)15-4-8-26-20(9-15)22(32)25-2/h4,8-13H,3,5-7H2,1-2H3,(H,25,32)(H,29,31)
InChIKeyNTQIYUGBQSARFY-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.49
Rot. Bonds7

About 4-[6-[5-[3-(1-fluorocyclopropyl)propanoylamino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide

4-[6-[5-[3-(1-fluorocyclopropyl)propanoylamino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide (PubChem CID 168930391) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 4-[6-[5-[3-(1-fluorocyclopropyl)propanoylamino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[6-[5-[3-(1-fluorocyclopropyl)propanoylamino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide
PubChem CID168930391
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name4-[6-[5-[3-(1-fluorocyclopropyl)propanoylamino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cnnc(-c3cc(NC(=O)CCC4(F)CC4)cnc3C)c2)ccn1
InChIInChI=1S/C23H23FN6O2/c1-14-18(11-17(13-27-14)29-21(31)3-5-23(24)6-7-23)19-10-16(12-28-30-19)15-4-8-26-20(9-15)22(32)25-2/h4,8-13H,3,5-7H2,1-2H3,(H,25,32)(H,29,31)
InChIKeyNTQIYUGBQSARFY-UHFFFAOYSA-N
XLogP3.49
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide
CID 170100895
4-[6-(5-amino-4-fluoro-2-methylphenyl)pyridazin-4-yl]-N-methylpyridine-2-carboxamide
CID 168928827
3-(1-fluorocyclopropyl)-N-[3-[4-(2-formyl-4-pyridinyl)-2-pyridinyl]-4-methylphenyl]propanamide
CID 168930384
methyl N-[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-2-pyridinyl]carbamate
CID 168929923
N-methyl-4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]pyridine-2-carboxamide
CID 168930262
N-[5-[5-(2-acetamido-4-pyridinyl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-1-cyclopropylpyrazole-4-carboxamide
CID 169024571
cyclopropanecarbaldehyde;N-(3,3-dimethylbutyl)-6-methyl-5-[5-[2-(methylamino)-4-pyridinyl]pyridazin-3-yl]pyridin-3-amine;formamide
CID 168928946
5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide
CID 176565436
N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176565448
N-[3-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyridazin-3-yl]-4-methylphenyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 169024658
4-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridine-2-carboxamide
CID 60926875
N-[5-[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-2-yl]-6-methyl-3-pyridinyl]-2-(1-propylcyclopropyl)pyridine-4-carboxamide
CID 168929782

Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-[3-(1-fluorocyclopropyl)propanoylamino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[6-[5-[3-(1-fluorocyclopropyl)propanoylamino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide (CID 168930391) is 4-[6-[5-[3-(1-fluorocyclopropyl)propanoylamino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[6-[5-[3-(1-fluorocyclopropyl)propanoylamino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[6-[5-[3-(1-fluorocyclopropyl)propanoylamino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(-c2cnnc(-c3cc(NC(=O)CCC4(F)CC4)cnc3C)c2)ccn1.
What is the InChIKey of 4-[6-[5-[3-(1-fluorocyclopropyl)propanoylamino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is NTQIYUGBQSARFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-14-18(11-17(13-27-14)29-21(31)3-5-23(24)6-7-23)19-10-16(12-28-30-19)15-4-8-26-20(9-15)22(32)25-2/h4,8-13H,3,5-7H2,1-2H3,(H,25,32)(H,29,31).
What are the key properties of 4-[6-[5-[3-(1-fluorocyclopropyl)propanoylamino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide?
4-[6-[5-[3-(1-fluorocyclopropyl)propanoylamino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-[3-(1-fluorocyclopropyl)propanoylamino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 168930391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).