1-methyl-N-[[6-methyl-5-[[2-[(3E)-penta-1,3-dien-3-yl]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide

C22H24N4O3 — CID 163731414

IUPAC1-methyl-N-[[6-methyl-5-[[2-[(3E)-penta-1,3-dien-3-yl]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide
SMILESC=C/C(=C\C)c1cc(Oc2ccc(NC(=O)NC(=O)C3(C)CC3)nc2C)ccn1
InChIInChI=1S/C22H24N4O3/c1-5-15(6-2)17-13-16(9-12-23-17)29-18-7-8-19(24-14(18)3)25-21(28)26-20(27)22(4)10-11-22/h5-9,12-13H,1,10-11H2,2-4H3,(H2,24,25,26,27,28)/b15-6+
InChIKeyKZWDQLJIYPUXFW-GIDUJCDVSA-N
MW392.46 g/mol
LogP4.61
Rot. Bonds6

About 1-methyl-N-[[6-methyl-5-[[2-[(3E)-penta-1,3-dien-3-yl]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide

1-methyl-N-[[6-methyl-5-[[2-[(3E)-penta-1,3-dien-3-yl]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide (PubChem CID 163731414) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-methyl-N-[[6-methyl-5-[[2-[(3E)-penta-1,3-dien-3-yl]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[6-methyl-5-[[2-[(3E)-penta-1,3-dien-3-yl]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide
PubChem CID163731414
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-methyl-N-[[6-methyl-5-[[2-[(3E)-penta-1,3-dien-3-yl]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide
SMILESC=C/C(=C\C)c1cc(Oc2ccc(NC(=O)NC(=O)C3(C)CC3)nc2C)ccn1
InChIInChI=1S/C22H24N4O3/c1-5-15(6-2)17-13-16(9-12-23-17)29-18-7-8-19(24-14(18)3)25-21(28)26-20(27)22(4)10-11-22/h5-9,12-13H,1,10-11H2,2-4H3,(H2,24,25,26,27,28)/b15-6+
InChIKeyKZWDQLJIYPUXFW-GIDUJCDVSA-N
XLogP4.61
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[6-methyl-5-[[2-[(3E)-penta-1,3-dien-3-yl]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-[[6-methyl-5-[[2-[(3E)-penta-1,3-dien-3-yl]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide (CID 163731414) is 1-methyl-N-[[6-methyl-5-[[2-[(3E)-penta-1,3-dien-3-yl]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[[6-methyl-5-[[2-[(3E)-penta-1,3-dien-3-yl]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[[6-methyl-5-[[2-[(3E)-penta-1,3-dien-3-yl]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide is C=C/C(=C\C)c1cc(Oc2ccc(NC(=O)NC(=O)C3(C)CC3)nc2C)ccn1.
What is the InChIKey of 1-methyl-N-[[6-methyl-5-[[2-[(3E)-penta-1,3-dien-3-yl]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide?
The InChIKey is KZWDQLJIYPUXFW-GIDUJCDVSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-5-15(6-2)17-13-16(9-12-23-17)29-18-7-8-19(24-14(18)3)25-21(28)26-20(27)22(4)10-11-22/h5-9,12-13H,1,10-11H2,2-4H3,(H2,24,25,26,27,28)/b15-6+.
What are the key properties of 1-methyl-N-[[6-methyl-5-[[2-[(3E)-penta-1,3-dien-3-yl]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide?
1-methyl-N-[[6-methyl-5-[[2-[(3E)-penta-1,3-dien-3-yl]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[6-methyl-5-[[2-[(3E)-penta-1,3-dien-3-yl]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 163731414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).