2-[5-[7-(cyclopropanecarbonylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4,6-dimethyl-2-pyridinyl]-N-[3-(5-hydroxy-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

C39H36N8O5 — CID 166123723

IUPAC2-[5-[7-(cyclopropanecarbonylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4,6-dimethyl-2-pyridinyl]-N-[3-(5-hydroxy-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
SMILESCc1cc(C2CC2C(=O)Nc2cc3c(cn2)cc(-c2cncc(O)c2C)c(=O)n3C)nc(C)c1-c1cc2cnc(NC(=O)C3CC3)cc2n(C)c1=O
InChIInChI=1S/C39H36N8O5/c1-18-8-29(43-20(3)35(18)27-10-23-15-41-33(44-36(49)21-6-7-21)12-31(23)47(5)39(27)52)24-11-25(24)37(50)45-34-13-30-22(14-42-34)9-26(38(51)46(30)4)28-16-40-17-32(48)19(28)2/h8-10,12-17,21,24-25,48H,6-7,11H2,1-5H3,(H,41,44,49)(H,42,45,50)
InChIKeyMQRBPFBYGAVNDC-UHFFFAOYSA-N
MW696.77 g/mol
LogP5.03
Rot. Bonds7

About 2-[5-[7-(cyclopropanecarbonylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4,6-dimethyl-2-pyridinyl]-N-[3-(5-hydroxy-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

2-[5-[7-(cyclopropanecarbonylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4,6-dimethyl-2-pyridinyl]-N-[3-(5-hydroxy-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (PubChem CID 166123723) has the molecular formula C39H36N8O5 and a molecular weight of 696.77 g/mol. Its IUPAC name is 2-[5-[7-(cyclopropanecarbonylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4,6-dimethyl-2-pyridinyl]-N-[3-(5-hydroxy-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[5-[7-(cyclopropanecarbonylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4,6-dimethyl-2-pyridinyl]-N-[3-(5-hydroxy-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
PubChem CID166123723
Molecular FormulaC39H36N8O5
Molecular Weight696.77 g/mol
Exact Mass696.28
IUPAC Name2-[5-[7-(cyclopropanecarbonylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4,6-dimethyl-2-pyridinyl]-N-[3-(5-hydroxy-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
SMILESCc1cc(C2CC2C(=O)Nc2cc3c(cn2)cc(-c2cncc(O)c2C)c(=O)n3C)nc(C)c1-c1cc2cnc(NC(=O)C3CC3)cc2n(C)c1=O
InChIInChI=1S/C39H36N8O5/c1-18-8-29(43-20(3)35(18)27-10-23-15-41-33(44-36(49)21-6-7-21)12-31(23)47(5)39(27)52)24-11-25(24)37(50)45-34-13-30-22(14-42-34)9-26(38(51)46(30)4)28-16-40-17-32(48)19(28)2/h8-10,12-17,21,24-25,48H,6-7,11H2,1-5H3,(H,41,44,49)(H,42,45,50)
InChIKeyMQRBPFBYGAVNDC-UHFFFAOYSA-N
XLogP5.03
TPSA173.99 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500696.77
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-[5-[7-(cyclopropanecarbonylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4,6-dimethyl-2-pyridinyl]-N-[3-(5-hydroxy-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[7-(cyclopropanecarbonylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4,6-dimethyl-2-pyridinyl]-N-[3-(5-hydroxy-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-[5-[7-(cyclopropanecarbonylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4,6-dimethyl-2-pyridinyl]-N-[3-(5-hydroxy-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (CID 166123723) is 2-[5-[7-(cyclopropanecarbonylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4,6-dimethyl-2-pyridinyl]-N-[3-(5-hydroxy-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[5-[7-(cyclopropanecarbonylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4,6-dimethyl-2-pyridinyl]-N-[3-(5-hydroxy-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-[5-[7-(cyclopropanecarbonylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4,6-dimethyl-2-pyridinyl]-N-[3-(5-hydroxy-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is Cc1cc(C2CC2C(=O)Nc2cc3c(cn2)cc(-c2cncc(O)c2C)c(=O)n3C)nc(C)c1-c1cc2cnc(NC(=O)C3CC3)cc2n(C)c1=O.
What is the InChIKey of 2-[5-[7-(cyclopropanecarbonylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4,6-dimethyl-2-pyridinyl]-N-[3-(5-hydroxy-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The InChIKey is MQRBPFBYGAVNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36N8O5/c1-18-8-29(43-20(3)35(18)27-10-23-15-41-33(44-36(49)21-6-7-21)12-31(23)47(5)39(27)52)24-11-25(24)37(50)45-34-13-30-22(14-42-34)9-26(38(51)46(30)4)28-16-40-17-32(48)19(28)2/h8-10,12-17,21,24-25,48H,6-7,11H2,1-5H3,(H,41,44,49)(H,42,45,50).
What are the key properties of 2-[5-[7-(cyclopropanecarbonylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4,6-dimethyl-2-pyridinyl]-N-[3-(5-hydroxy-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
2-[5-[7-(cyclopropanecarbonylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4,6-dimethyl-2-pyridinyl]-N-[3-(5-hydroxy-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide has a molecular weight of 696.77 g/mol, XLogP of 5.03, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[7-(cyclopropanecarbonylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4,6-dimethyl-2-pyridinyl]-N-[3-(5-hydroxy-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166123723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).