2-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)benzamide

C20H16ClN5O2 — CID 18727604

IUPAC2-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)benzamide
SMILES[H]/N=C(\N)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C20H16ClN5O2/c21-14-9-10-17(24-11-14)26-20(28)15-3-1-2-4-16(15)25-19(27)13-7-5-12(6-8-13)18(22)23/h1-11H,(H3,22,23)(H,25,27)(H,24,26,28)
InChIKeyUYGNDEAYDITYQP-UHFFFAOYSA-N
MW393.83 g/mol
LogP3.52
Rot. Bonds5

About 2-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)benzamide

2-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)benzamide (PubChem CID 18727604) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is 2-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)benzamide
PubChem CID18727604
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC Name2-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)benzamide
SMILES[H]/N=C(\N)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C20H16ClN5O2/c21-14-9-10-17(24-11-14)26-20(28)15-3-1-2-4-16(15)25-19(27)13-7-5-12(6-8-13)18(22)23/h1-11H,(H3,22,23)(H,25,27)(H,24,26,28)
InChIKeyUYGNDEAYDITYQP-UHFFFAOYSA-N
XLogP3.52
TPSA120.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)benzamide?
The IUPAC name of 2-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)benzamide (CID 18727604) is 2-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)benzamide.
What is the SMILES notation for 2-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)benzamide?
The canonical SMILES for 2-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)benzamide is [H]/N=C(\N)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of 2-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)benzamide?
The InChIKey is UYGNDEAYDITYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c21-14-9-10-17(24-11-14)26-20(28)15-3-1-2-4-16(15)25-19(27)13-7-5-12(6-8-13)18(22)23/h1-11H,(H3,22,23)(H,25,27)(H,24,26,28).
What are the key properties of 2-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)benzamide?
2-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)benzamide has a molecular weight of 393.83 g/mol, XLogP of 3.52, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)benzamide is sourced from PubChem (CID 18727604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).