N-(5-chloro-2-pyridinyl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide

C16H13ClN4O3 — CID 122170063

IUPACN-(5-chloro-2-pyridinyl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide
SMILESO=C(CC1NC(=O)c2ccccc2NC1=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H13ClN4O3/c17-9-5-6-13(18-8-9)21-14(22)7-12-16(24)19-11-4-2-1-3-10(11)15(23)20-12/h1-6,8,12H,7H2,(H,19,24)(H,20,23)(H,18,21,22)
InChIKeySJCNVVDFMCVJGF-UHFFFAOYSA-N
MW344.76 g/mol
LogP1.81
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide

N-(5-chloro-2-pyridinyl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide (PubChem CID 122170063) has the molecular formula C16H13ClN4O3 and a molecular weight of 344.76 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide
PubChem CID122170063
Molecular FormulaC16H13ClN4O3
Molecular Weight344.76 g/mol
Exact Mass344.07
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide
SMILESO=C(CC1NC(=O)c2ccccc2NC1=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H13ClN4O3/c17-9-5-6-13(18-8-9)21-14(22)7-12-16(24)19-11-4-2-1-3-10(11)15(23)20-12/h1-6,8,12H,7H2,(H,19,24)(H,20,23)(H,18,21,22)
InChIKeySJCNVVDFMCVJGF-UHFFFAOYSA-N
XLogP1.81
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide (CID 122170063) is N-(5-chloro-2-pyridinyl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide is O=C(CC1NC(=O)c2ccccc2NC1=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide?
The InChIKey is SJCNVVDFMCVJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3/c17-9-5-6-13(18-8-9)21-14(22)7-12-16(24)19-11-4-2-1-3-10(11)15(23)20-12/h1-6,8,12H,7H2,(H,19,24)(H,20,23)(H,18,21,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide?
N-(5-chloro-2-pyridinyl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide has a molecular weight of 344.76 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide is sourced from PubChem (CID 122170063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).