anthracene-1-carboxamide;pyridine-2-carboxamide

C21H17N3O2 — CID 87214967

IUPACanthracene-1-carboxamide;pyridine-2-carboxamide
SMILESNC(=O)c1cccc2cc3ccccc3cc12.NC(=O)c1ccccn1
InChIInChI=1S/C15H11NO.C6H6N2O/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13;7-6(9)5-3-1-2-4-8-5/h1-9H,(H2,16,17);1-4H,(H2,7,9)
InChIKeyOTMZVALHCLIAPE-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.27
Rot. Bonds2

About anthracene-1-carboxamide;pyridine-2-carboxamide

anthracene-1-carboxamide;pyridine-2-carboxamide (PubChem CID 87214967) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is anthracene-1-carboxamide;pyridine-2-carboxamide.

Molecular Properties

Compound Nameanthracene-1-carboxamide;pyridine-2-carboxamide
PubChem CID87214967
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Nameanthracene-1-carboxamide;pyridine-2-carboxamide
SMILESNC(=O)c1cccc2cc3ccccc3cc12.NC(=O)c1ccccn1
InChIInChI=1S/C15H11NO.C6H6N2O/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13;7-6(9)5-3-1-2-4-8-5/h1-9H,(H2,16,17);1-4H,(H2,7,9)
InChIKeyOTMZVALHCLIAPE-UHFFFAOYSA-N
XLogP3.27
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

ethane;molecular hydrogen;pyridine-2-carboxamide
CID 145071770
acetyl bromide;pyridine-2-carboxamide
CID 175817538
10-aminoanthracene-1-carboxamide
CID 23131366
anthracen-1-yl(pyrimidin-4-yl)methanone
CID 173459735
benzoic acid;pyridine-2-carboxamide
CID 67821051
6-pyridin-2-ylpyridine-2-carboxamide
CID 12055775
2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide
CID 174601902
CID 129133768
CID 129133768
disodium bis(anthracene-1-carboxylate)
CID 155667370
dioxane;pyridine-2-carboxamide
CID 174962613
2-naphthalen-2-ylsulfanylpyridine-3-carboxamide
CID 36557143
4-amino-3-anthracen-1-yl-4-oxobut-2-enoic acid
CID 173302358

Frequently Asked Questions

What is the IUPAC name of anthracene-1-carboxamide;pyridine-2-carboxamide?
The IUPAC name of anthracene-1-carboxamide;pyridine-2-carboxamide (CID 87214967) is anthracene-1-carboxamide;pyridine-2-carboxamide.
What is the SMILES notation for anthracene-1-carboxamide;pyridine-2-carboxamide?
The canonical SMILES for anthracene-1-carboxamide;pyridine-2-carboxamide is NC(=O)c1cccc2cc3ccccc3cc12.NC(=O)c1ccccn1.
What is the InChIKey of anthracene-1-carboxamide;pyridine-2-carboxamide?
The InChIKey is OTMZVALHCLIAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO.C6H6N2O/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13;7-6(9)5-3-1-2-4-8-5/h1-9H,(H2,16,17);1-4H,(H2,7,9).
What are the key properties of anthracene-1-carboxamide;pyridine-2-carboxamide?
anthracene-1-carboxamide;pyridine-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-1-carboxamide;pyridine-2-carboxamide is sourced from PubChem (CID 87214967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).