methyl 6-[[4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carbonyl]amino]pyridine-2-carboxylate

C21H18N4O3 — CID 66848750

IUPACmethyl 6-[[4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C4CC4)nc3)ccn2)n1
InChIInChI=1S/C21H18N4O3/c1-28-21(27)17-3-2-4-19(24-17)25-20(26)18-11-14(9-10-22-18)15-7-8-16(23-12-15)13-5-6-13/h2-4,7-13H,5-6H2,1H3,(H,24,25,26)
InChIKeyQXPKKPKFDDCWEE-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.45
Rot. Bonds5

About methyl 6-[[4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carbonyl]amino]pyridine-2-carboxylate

methyl 6-[[4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carbonyl]amino]pyridine-2-carboxylate (PubChem CID 66848750) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is methyl 6-[[4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carbonyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carbonyl]amino]pyridine-2-carboxylate
PubChem CID66848750
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Namemethyl 6-[[4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C4CC4)nc3)ccn2)n1
InChIInChI=1S/C21H18N4O3/c1-28-21(27)17-3-2-4-19(24-17)25-20(26)18-11-14(9-10-22-18)15-7-8-16(23-12-15)13-5-6-13/h2-4,7-13H,5-6H2,1H3,(H,24,25,26)
InChIKeyQXPKKPKFDDCWEE-UHFFFAOYSA-N
XLogP3.45
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carbonyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carbonyl]amino]pyridine-2-carboxylate (CID 66848750) is methyl 6-[[4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carbonyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carbonyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carbonyl]amino]pyridine-2-carboxylate is COC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C4CC4)nc3)ccn2)n1.
What is the InChIKey of methyl 6-[[4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carbonyl]amino]pyridine-2-carboxylate?
The InChIKey is QXPKKPKFDDCWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-28-21(27)17-3-2-4-19(24-17)25-20(26)18-11-14(9-10-22-18)15-7-8-16(23-12-15)13-5-6-13/h2-4,7-13H,5-6H2,1H3,(H,24,25,26).
What are the key properties of methyl 6-[[4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carbonyl]amino]pyridine-2-carboxylate?
methyl 6-[[4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carbonyl]amino]pyridine-2-carboxylate has a molecular weight of 374.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carbonyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 66848750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).