(4R)-N-[6-(furan-3-yl)-2-pyridinyl]-4-methyl-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide

C26H25N5O2 — CID 158711370

IUPAC(4R)-N-[6-(furan-3-yl)-2-pyridinyl]-4-methyl-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
SMILESCc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(-c4ccoc4)n2)[C@H](C)CCN3)c1
InChIInChI=1S/C26H25N5O2/c1-17-5-3-6-19(15-17)22-9-10-23-25(29-22)31(18(2)11-13-27-23)26(32)30-24-8-4-7-21(28-24)20-12-14-33-16-20/h3-10,12,14-16,18,27H,11,13H2,1-2H3,(H,28,30,32)/t18-/m1/s1
InChIKeyIITNEDAJVNKXPQ-GOSISDBHSA-N
MW439.52 g/mol
LogP5.95
Rot. Bonds3

About (4R)-N-[6-(furan-3-yl)-2-pyridinyl]-4-methyl-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide

(4R)-N-[6-(furan-3-yl)-2-pyridinyl]-4-methyl-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide (PubChem CID 158711370) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is (4R)-N-[6-(furan-3-yl)-2-pyridinyl]-4-methyl-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide.

Molecular Properties

Compound Name(4R)-N-[6-(furan-3-yl)-2-pyridinyl]-4-methyl-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
PubChem CID158711370
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name(4R)-N-[6-(furan-3-yl)-2-pyridinyl]-4-methyl-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
SMILESCc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(-c4ccoc4)n2)[C@H](C)CCN3)c1
InChIInChI=1S/C26H25N5O2/c1-17-5-3-6-19(15-17)22-9-10-23-25(29-22)31(18(2)11-13-27-23)26(32)30-24-8-4-7-21(28-24)20-12-14-33-16-20/h3-10,12,14-16,18,27H,11,13H2,1-2H3,(H,28,30,32)/t18-/m1/s1
InChIKeyIITNEDAJVNKXPQ-GOSISDBHSA-N
XLogP5.95
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R)-N-[6-(furan-3-yl)-2-pyridinyl]-4-methyl-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[6-(furan-3-yl)-2-pyridinyl]-4-methyl-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The IUPAC name of (4R)-N-[6-(furan-3-yl)-2-pyridinyl]-4-methyl-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide (CID 158711370) is (4R)-N-[6-(furan-3-yl)-2-pyridinyl]-4-methyl-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide.
What is the SMILES notation for (4R)-N-[6-(furan-3-yl)-2-pyridinyl]-4-methyl-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The canonical SMILES for (4R)-N-[6-(furan-3-yl)-2-pyridinyl]-4-methyl-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide is Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(-c4ccoc4)n2)[C@H](C)CCN3)c1.
What is the InChIKey of (4R)-N-[6-(furan-3-yl)-2-pyridinyl]-4-methyl-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The InChIKey is IITNEDAJVNKXPQ-GOSISDBHSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-17-5-3-6-19(15-17)22-9-10-23-25(29-22)31(18(2)11-13-27-23)26(32)30-24-8-4-7-21(28-24)20-12-14-33-16-20/h3-10,12,14-16,18,27H,11,13H2,1-2H3,(H,28,30,32)/t18-/m1/s1.
What are the key properties of (4R)-N-[6-(furan-3-yl)-2-pyridinyl]-4-methyl-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
(4R)-N-[6-(furan-3-yl)-2-pyridinyl]-4-methyl-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 5.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[6-(furan-3-yl)-2-pyridinyl]-4-methyl-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide is sourced from PubChem (CID 158711370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).