[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanone

C29H35N7O2 — CID 170324698

IUPAC[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanone
SMILESCc1c(N2CCc3cnc(Nc4ccc(C(=O)N5CC[C@@H](N(C)C)C5)cc4)cc3C2)cnc2c1NCCO2
InChIInChI=1S/C29H35N7O2/c1-19-25(16-32-28-27(19)30-10-13-38-28)35-11-8-21-15-31-26(14-22(21)17-35)33-23-6-4-20(5-7-23)29(37)36-12-9-24(18-36)34(2)3/h4-7,14-16,24,30H,8-13,17-18H2,1-3H3,(H,31,33)/t24-/m1/s1
InChIKeyFYNQFESQSMCPQI-XMMPIXPASA-N
MW513.65 g/mol
LogP3.67
Rot. Bonds5

About [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanone

[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanone (PubChem CID 170324698) has the molecular formula C29H35N7O2 and a molecular weight of 513.65 g/mol. Its IUPAC name is [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanone
PubChem CID170324698
Molecular FormulaC29H35N7O2
Molecular Weight513.65 g/mol
Exact Mass513.29
IUPAC Name[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanone
SMILESCc1c(N2CCc3cnc(Nc4ccc(C(=O)N5CC[C@@H](N(C)C)C5)cc4)cc3C2)cnc2c1NCCO2
InChIInChI=1S/C29H35N7O2/c1-19-25(16-32-28-27(19)30-10-13-38-28)35-11-8-21-15-31-26(14-22(21)17-35)33-23-6-4-20(5-7-23)29(37)36-12-9-24(18-36)34(2)3/h4-7,14-16,24,30H,8-13,17-18H2,1-3H3,(H,31,33)/t24-/m1/s1
InChIKeyFYNQFESQSMCPQI-XMMPIXPASA-N
XLogP3.67
TPSA85.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.65
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanone?
The IUPAC name of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanone (CID 170324698) is [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanone.
What is the SMILES notation for [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanone?
The canonical SMILES for [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanone is Cc1c(N2CCc3cnc(Nc4ccc(C(=O)N5CC[C@@H](N(C)C)C5)cc4)cc3C2)cnc2c1NCCO2.
What is the InChIKey of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanone?
The InChIKey is FYNQFESQSMCPQI-XMMPIXPASA-N. The full InChI is InChI=1S/C29H35N7O2/c1-19-25(16-32-28-27(19)30-10-13-38-28)35-11-8-21-15-31-26(14-22(21)17-35)33-23-6-4-20(5-7-23)29(37)36-12-9-24(18-36)34(2)3/h4-7,14-16,24,30H,8-13,17-18H2,1-3H3,(H,31,33)/t24-/m1/s1.
What are the key properties of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanone?
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanone has a molecular weight of 513.65 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanone is sourced from PubChem (CID 170324698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).