N-[4-methyl-3-[[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]amino]phenyl]dibenzofuran-4-carboxamide

C30H29N5O3 — CID 22594109

IUPACN-[4-methyl-3-[[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]amino]phenyl]dibenzofuran-4-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3c2oc2ccccc23)cc1Nc1ccnc(OC2CCN(C)CC2)n1
InChIInChI=1S/C30H29N5O3/c1-19-10-11-20(32-29(36)24-8-5-7-23-22-6-3-4-9-26(22)38-28(23)24)18-25(19)33-27-12-15-31-30(34-27)37-21-13-16-35(2)17-14-21/h3-12,15,18,21H,13-14,16-17H2,1-2H3,(H,32,36)(H,31,33,34)
InChIKeyBODCVAVNQLLCRD-UHFFFAOYSA-N
MW507.59 g/mol
LogP6.15
Rot. Bonds6

About N-[4-methyl-3-[[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]amino]phenyl]dibenzofuran-4-carboxamide

N-[4-methyl-3-[[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]amino]phenyl]dibenzofuran-4-carboxamide (PubChem CID 22594109) has the molecular formula C30H29N5O3 and a molecular weight of 507.59 g/mol. Its IUPAC name is N-[4-methyl-3-[[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]amino]phenyl]dibenzofuran-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]amino]phenyl]dibenzofuran-4-carboxamide
PubChem CID22594109
Molecular FormulaC30H29N5O3
Molecular Weight507.59 g/mol
Exact Mass507.23
IUPAC NameN-[4-methyl-3-[[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]amino]phenyl]dibenzofuran-4-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3c2oc2ccccc23)cc1Nc1ccnc(OC2CCN(C)CC2)n1
InChIInChI=1S/C30H29N5O3/c1-19-10-11-20(32-29(36)24-8-5-7-23-22-6-3-4-9-26(22)38-28(23)24)18-25(19)33-27-12-15-31-30(34-27)37-21-13-16-35(2)17-14-21/h3-12,15,18,21H,13-14,16-17H2,1-2H3,(H,32,36)(H,31,33,34)
InChIKeyBODCVAVNQLLCRD-UHFFFAOYSA-N
XLogP6.15
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.59
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-methyl-3-[[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]amino]phenyl]dibenzofuran-4-carboxamide with MolForge

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Related Compounds

N-[4-methyl-3-[3-[(4-methylpiperazin-1-yl)methyl]anilino]phenyl]dibenzofuran-4-carboxamide
CID 70203797
N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]quinoline-5-carboxamide
CID 166209151
N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]quinoline-4-carboxamide
CID 167934524
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-1-carboxamide
CID 118063788
N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]cinnoline-4-carboxamide
CID 167774517
N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 167877793
2-cyclopropyl-N-dibenzofuran-3-ylpyrimidine-4-carboxamide
CID 86939315
N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide
CID 156902536
N-(3,4-dimethylphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 122267729
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
CID 32739299
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide
CID 118063587
N-[4-methyl-3-[[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]quinoline-4-carboxamide
CID 59381895

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]amino]phenyl]dibenzofuran-4-carboxamide?
The IUPAC name of N-[4-methyl-3-[[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]amino]phenyl]dibenzofuran-4-carboxamide (CID 22594109) is N-[4-methyl-3-[[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]amino]phenyl]dibenzofuran-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]amino]phenyl]dibenzofuran-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-[[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]amino]phenyl]dibenzofuran-4-carboxamide is Cc1ccc(NC(=O)c2cccc3c2oc2ccccc23)cc1Nc1ccnc(OC2CCN(C)CC2)n1.
What is the InChIKey of N-[4-methyl-3-[[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]amino]phenyl]dibenzofuran-4-carboxamide?
The InChIKey is BODCVAVNQLLCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O3/c1-19-10-11-20(32-29(36)24-8-5-7-23-22-6-3-4-9-26(22)38-28(23)24)18-25(19)33-27-12-15-31-30(34-27)37-21-13-16-35(2)17-14-21/h3-12,15,18,21H,13-14,16-17H2,1-2H3,(H,32,36)(H,31,33,34).
What are the key properties of N-[4-methyl-3-[[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]amino]phenyl]dibenzofuran-4-carboxamide?
N-[4-methyl-3-[[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]amino]phenyl]dibenzofuran-4-carboxamide has a molecular weight of 507.59 g/mol, XLogP of 6.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]amino]phenyl]dibenzofuran-4-carboxamide is sourced from PubChem (CID 22594109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).