methyl 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate

C19H17N7O3 — CID 165415374

IUPACmethyl 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1
InChIInChI=1S/C19H17N7O3/c1-29-19(28)13-3-2-4-15(24-13)26-18(27)16-17(23-12-7-20-10-21-8-12)22-9-14(25-16)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,22,23)(H,24,26,27)
InChIKeyMYUCKFRYPVEAKZ-UHFFFAOYSA-N
MW391.39 g/mol
LogP2.32
Rot. Bonds6

About methyl 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate

methyl 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate (PubChem CID 165415374) has the molecular formula C19H17N7O3 and a molecular weight of 391.39 g/mol. Its IUPAC name is methyl 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate
PubChem CID165415374
Molecular FormulaC19H17N7O3
Molecular Weight391.39 g/mol
Exact Mass391.14
IUPAC Namemethyl 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1
InChIInChI=1S/C19H17N7O3/c1-29-19(28)13-3-2-4-15(24-13)26-18(27)16-17(23-12-7-20-10-21-8-12)22-9-14(25-16)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,22,23)(H,24,26,27)
InChIKeyMYUCKFRYPVEAKZ-UHFFFAOYSA-N
XLogP2.32
TPSA131.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate (CID 165415374) is methyl 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate is COC(=O)c1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1.
What is the InChIKey of methyl 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate?
The InChIKey is MYUCKFRYPVEAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O3/c1-29-19(28)13-3-2-4-15(24-13)26-18(27)16-17(23-12-7-20-10-21-8-12)22-9-14(25-16)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,22,23)(H,24,26,27).
What are the key properties of methyl 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate?
methyl 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate has a molecular weight of 391.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 165415374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).