2-amino-3-[6-[(2,3-dichloropyridine-4-carbonyl)amino]-3-pyridinyl]propanoic acid

C14H12Cl2N4O3 — CID 139998985

IUPAC2-amino-3-[6-[(2,3-dichloropyridine-4-carbonyl)amino]-3-pyridinyl]propanoic acid
SMILESNC(Cc1ccc(NC(=O)c2ccnc(Cl)c2Cl)nc1)C(=O)O
InChIInChI=1S/C14H12Cl2N4O3/c15-11-8(3-4-18-12(11)16)13(21)20-10-2-1-7(6-19-10)5-9(17)14(22)23/h1-4,6,9H,5,17H2,(H,22,23)(H,19,20,21)
InChIKeySRLZKAHFZMIUNP-UHFFFAOYSA-N
MW355.18 g/mol
LogP1.99
Rot. Bonds5

About 2-amino-3-[6-[(2,3-dichloropyridine-4-carbonyl)amino]-3-pyridinyl]propanoic acid

2-amino-3-[6-[(2,3-dichloropyridine-4-carbonyl)amino]-3-pyridinyl]propanoic acid (PubChem CID 139998985) has the molecular formula C14H12Cl2N4O3 and a molecular weight of 355.18 g/mol. Its IUPAC name is 2-amino-3-[6-[(2,3-dichloropyridine-4-carbonyl)amino]-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[6-[(2,3-dichloropyridine-4-carbonyl)amino]-3-pyridinyl]propanoic acid
PubChem CID139998985
Molecular FormulaC14H12Cl2N4O3
Molecular Weight355.18 g/mol
Exact Mass354.03
IUPAC Name2-amino-3-[6-[(2,3-dichloropyridine-4-carbonyl)amino]-3-pyridinyl]propanoic acid
SMILESNC(Cc1ccc(NC(=O)c2ccnc(Cl)c2Cl)nc1)C(=O)O
InChIInChI=1S/C14H12Cl2N4O3/c15-11-8(3-4-18-12(11)16)13(21)20-10-2-1-7(6-19-10)5-9(17)14(22)23/h1-4,6,9H,5,17H2,(H,22,23)(H,19,20,21)
InChIKeySRLZKAHFZMIUNP-UHFFFAOYSA-N
XLogP1.99
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[6-[(2,3-dichloropyridine-4-carbonyl)amino]-3-pyridinyl]propanoic acid?
The IUPAC name of 2-amino-3-[6-[(2,3-dichloropyridine-4-carbonyl)amino]-3-pyridinyl]propanoic acid (CID 139998985) is 2-amino-3-[6-[(2,3-dichloropyridine-4-carbonyl)amino]-3-pyridinyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[6-[(2,3-dichloropyridine-4-carbonyl)amino]-3-pyridinyl]propanoic acid?
The canonical SMILES for 2-amino-3-[6-[(2,3-dichloropyridine-4-carbonyl)amino]-3-pyridinyl]propanoic acid is NC(Cc1ccc(NC(=O)c2ccnc(Cl)c2Cl)nc1)C(=O)O.
What is the InChIKey of 2-amino-3-[6-[(2,3-dichloropyridine-4-carbonyl)amino]-3-pyridinyl]propanoic acid?
The InChIKey is SRLZKAHFZMIUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O3/c15-11-8(3-4-18-12(11)16)13(21)20-10-2-1-7(6-19-10)5-9(17)14(22)23/h1-4,6,9H,5,17H2,(H,22,23)(H,19,20,21).
What are the key properties of 2-amino-3-[6-[(2,3-dichloropyridine-4-carbonyl)amino]-3-pyridinyl]propanoic acid?
2-amino-3-[6-[(2,3-dichloropyridine-4-carbonyl)amino]-3-pyridinyl]propanoic acid has a molecular weight of 355.18 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[6-[(2,3-dichloropyridine-4-carbonyl)amino]-3-pyridinyl]propanoic acid is sourced from PubChem (CID 139998985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).