(3-amino-4-methyl-6-phenylfuro[2,3-b]pyridin-2-yl)-(4-phenylphenyl)methanone

C27H20N2O2 — CID 11840724

IUPAC(3-amino-4-methyl-6-phenylfuro[2,3-b]pyridin-2-yl)-(4-phenylphenyl)methanone
SMILESCc1cc(-c2ccccc2)nc2oc(C(=O)c3ccc(-c4ccccc4)cc3)c(N)c12
InChIInChI=1S/C27H20N2O2/c1-17-16-22(20-10-6-3-7-11-20)29-27-23(17)24(28)26(31-27)25(30)21-14-12-19(13-15-21)18-8-4-2-5-9-18/h2-16H,28H2,1H3
InChIKeySQMFHYGMHHFKEV-UHFFFAOYSA-N
MW404.47 g/mol
LogP6.28
Rot. Bonds4

About (3-amino-4-methyl-6-phenylfuro[2,3-b]pyridin-2-yl)-(4-phenylphenyl)methanone

(3-amino-4-methyl-6-phenylfuro[2,3-b]pyridin-2-yl)-(4-phenylphenyl)methanone (PubChem CID 11840724) has the molecular formula C27H20N2O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is (3-amino-4-methyl-6-phenylfuro[2,3-b]pyridin-2-yl)-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-methyl-6-phenylfuro[2,3-b]pyridin-2-yl)-(4-phenylphenyl)methanone
PubChem CID11840724
Molecular FormulaC27H20N2O2
Molecular Weight404.47 g/mol
Exact Mass404.15
IUPAC Name(3-amino-4-methyl-6-phenylfuro[2,3-b]pyridin-2-yl)-(4-phenylphenyl)methanone
SMILESCc1cc(-c2ccccc2)nc2oc(C(=O)c3ccc(-c4ccccc4)cc3)c(N)c12
InChIInChI=1S/C27H20N2O2/c1-17-16-22(20-10-6-3-7-11-20)29-27-23(17)24(28)26(31-27)25(30)21-14-12-19(13-15-21)18-8-4-2-5-9-18/h2-16H,28H2,1H3
InChIKeySQMFHYGMHHFKEV-UHFFFAOYSA-N
XLogP6.28
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-amino-6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]-(4-chlorophenyl)methanone
CID 11122582
ethyl 3-amino-6-(4-chlorophenyl)-4-methylfuro[2,3-b]pyridine-2-carboxylate
CID 91872822
(3-amino-6-methoxy-4-methylfuro[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone
CID 50896332
N'-[2-(4-bromobenzoyl)-4,6-diphenylfuro[2,3-b]pyridin-3-yl]-N,N-dimethylmethanimidamide
CID 10324505
ethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate
CID 2816111
ethyl 3-amino-4-methyl-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate
CID 91872812
(4-amino-3-methylphenyl)-(4-phenylphenyl)methanone
CID 91678510
4-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid
CID 54333176
ethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate
CID 10408253
1-[[3-amino-4-(furan-2-yl)-6-(4-methylphenyl)furo[2,3-b]pyridine-2-carbonyl]amino]-3-phenylthiourea
CID 2816099
3-(dimethylaminomethylideneamino)-4,6-diphenylfuro[2,3-b]pyridine-2-carboxylic acid
CID 10362658
6-ethoxy-13-methyl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 11840755

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methyl-6-phenylfuro[2,3-b]pyridin-2-yl)-(4-phenylphenyl)methanone?
The IUPAC name of (3-amino-4-methyl-6-phenylfuro[2,3-b]pyridin-2-yl)-(4-phenylphenyl)methanone (CID 11840724) is (3-amino-4-methyl-6-phenylfuro[2,3-b]pyridin-2-yl)-(4-phenylphenyl)methanone.
What is the SMILES notation for (3-amino-4-methyl-6-phenylfuro[2,3-b]pyridin-2-yl)-(4-phenylphenyl)methanone?
The canonical SMILES for (3-amino-4-methyl-6-phenylfuro[2,3-b]pyridin-2-yl)-(4-phenylphenyl)methanone is Cc1cc(-c2ccccc2)nc2oc(C(=O)c3ccc(-c4ccccc4)cc3)c(N)c12.
What is the InChIKey of (3-amino-4-methyl-6-phenylfuro[2,3-b]pyridin-2-yl)-(4-phenylphenyl)methanone?
The InChIKey is SQMFHYGMHHFKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O2/c1-17-16-22(20-10-6-3-7-11-20)29-27-23(17)24(28)26(31-27)25(30)21-14-12-19(13-15-21)18-8-4-2-5-9-18/h2-16H,28H2,1H3.
What are the key properties of (3-amino-4-methyl-6-phenylfuro[2,3-b]pyridin-2-yl)-(4-phenylphenyl)methanone?
(3-amino-4-methyl-6-phenylfuro[2,3-b]pyridin-2-yl)-(4-phenylphenyl)methanone has a molecular weight of 404.47 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methyl-6-phenylfuro[2,3-b]pyridin-2-yl)-(4-phenylphenyl)methanone is sourced from PubChem (CID 11840724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).