N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide

C24H19N5O3 — CID 22099746

IUPACN-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(C(=O)N2Cc3cccnc3Nc3ccccc32)cn1
InChIInChI=1S/C24H19N5O3/c1-15-18(10-12-32-15)23(30)28-21-9-8-16(13-26-21)24(31)29-14-17-5-4-11-25-22(17)27-19-6-2-3-7-20(19)29/h2-13H,14H2,1H3,(H,25,27)(H,26,28,30)
InChIKeyBXYDFKGRGIINGS-UHFFFAOYSA-N
MW425.45 g/mol
LogP4.53
Rot. Bonds3

About N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide

N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide (PubChem CID 22099746) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide
PubChem CID22099746
Molecular FormulaC24H19N5O3
Molecular Weight425.45 g/mol
Exact Mass425.15
IUPAC NameN-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(C(=O)N2Cc3cccnc3Nc3ccccc32)cn1
InChIInChI=1S/C24H19N5O3/c1-15-18(10-12-32-15)23(30)28-21-9-8-16(13-26-21)24(31)29-14-17-5-4-11-25-22(17)27-19-6-2-3-7-20(19)29/h2-13H,14H2,1H3,(H,25,27)(H,26,28,30)
InChIKeyBXYDFKGRGIINGS-UHFFFAOYSA-N
XLogP4.53
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide (CID 22099746) is N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1ccc(C(=O)N2Cc3cccnc3Nc3ccccc32)cn1.
What is the InChIKey of N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide?
The InChIKey is BXYDFKGRGIINGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3/c1-15-18(10-12-32-15)23(30)28-21-9-8-16(13-26-21)24(31)29-14-17-5-4-11-25-22(17)27-19-6-2-3-7-20(19)29/h2-13H,14H2,1H3,(H,25,27)(H,26,28,30).
What are the key properties of N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide?
N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 22099746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).