N-ethyl-4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one

C56H61N11O5 — CID 87192143

IUPACN-ethyl-4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
SMILESCCNC(=O)N1CCC(c2ccc(Nc3nc(-c4cncc(OC)c4)cc4cc[nH]c(=O)c34)cc2)CC1.COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(C(C)C)CC4)cc3)n2)c1
InChIInChI=1S/C28H30N6O3.C28H31N5O2/c1-3-30-28(36)34-12-9-19(10-13-34)18-4-6-22(7-5-18)32-26-25-20(8-11-31-27(25)35)15-24(33-26)21-14-23(37-2)17-29-16-21;1-18(2)33-12-9-20(10-13-33)19-4-6-23(7-5-19)31-27-26-21(8-11-30-28(26)34)15-25(32-27)22-14-24(35-3)17-29-16-22/h4-8,11,14-17,19H,3,9-10,12-13H2,1-2H3,(H,30,36)(H,31,35)(H,32,33);4-8,11,14-18,20H,9-10,12-13H2,1-3H3,(H,30,34)(H,31,32)
InChIKeyQMVIRDDXDNWOFZ-UHFFFAOYSA-N
MW968.18 g/mol
LogP9.97
Rot. Bonds12

About N-ethyl-4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one

N-ethyl-4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 87192143) has the molecular formula C56H61N11O5 and a molecular weight of 968.18 g/mol. Its IUPAC name is N-ethyl-4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound NameN-ethyl-4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
PubChem CID87192143
Molecular FormulaC56H61N11O5
Molecular Weight968.18 g/mol
Exact Mass967.49
IUPAC NameN-ethyl-4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
SMILESCCNC(=O)N1CCC(c2ccc(Nc3nc(-c4cncc(OC)c4)cc4cc[nH]c(=O)c34)cc2)CC1.COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(C(C)C)CC4)cc3)n2)c1
InChIInChI=1S/C28H30N6O3.C28H31N5O2/c1-3-30-28(36)34-12-9-19(10-13-34)18-4-6-22(7-5-18)32-26-25-20(8-11-31-27(25)35)15-24(33-26)21-14-23(37-2)17-29-16-21;1-18(2)33-12-9-20(10-13-33)19-4-6-23(7-5-19)31-27-26-21(8-11-30-28(26)34)15-25(32-27)22-14-24(35-3)17-29-16-22/h4-8,11,14-17,19H,3,9-10,12-13H2,1-2H3,(H,30,36)(H,31,35)(H,32,33);4-8,11,14-18,20H,9-10,12-13H2,1-3H3,(H,30,34)(H,31,32)
InChIKeyQMVIRDDXDNWOFZ-UHFFFAOYSA-N
XLogP9.97
TPSA195.38 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500968.18
LogP ≤ 59.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze N-ethyl-4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of N-ethyl-4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one (CID 87192143) is N-ethyl-4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for N-ethyl-4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for N-ethyl-4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one is CCNC(=O)N1CCC(c2ccc(Nc3nc(-c4cncc(OC)c4)cc4cc[nH]c(=O)c34)cc2)CC1.COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(C(C)C)CC4)cc3)n2)c1.
What is the InChIKey of N-ethyl-4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one?
The InChIKey is QMVIRDDXDNWOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3.C28H31N5O2/c1-3-30-28(36)34-12-9-19(10-13-34)18-4-6-22(7-5-18)32-26-25-20(8-11-31-27(25)35)15-24(33-26)21-14-23(37-2)17-29-16-21;1-18(2)33-12-9-20(10-13-33)19-4-6-23(7-5-19)31-27-26-21(8-11-30-28(26)34)15-25(32-27)22-14-24(35-3)17-29-16-22/h4-8,11,14-17,19H,3,9-10,12-13H2,1-2H3,(H,30,36)(H,31,35)(H,32,33);4-8,11,14-18,20H,9-10,12-13H2,1-3H3,(H,30,34)(H,31,32).
What are the key properties of N-ethyl-4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one?
N-ethyl-4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 968.18 g/mol, XLogP of 9.97, 12 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 87192143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).