CID 70545917

C18H21N7NaO — CID 70545917

IUPAC—
SMILESCCN(CC)c1ccc(-c2cc(C)cc(C(=O)Nc3nn[nH]n3)n2)cc1.[Na]
InChIInChI=1S/C18H21N7O.Na/c1-4-25(5-2)14-8-6-13(7-9-14)15-10-12(3)11-16(19-15)17(26)20-18-21-23-24-22-18;/h6-11H,4-5H2,1-3H3,(H2,20,21,22,23,24,26);
InChIKeyNGSNWKNZROJZBH-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.29
Rot. Bonds6

About CID 70545917

CID 70545917 (PubChem CID 70545917) has the molecular formula C18H21N7NaO and a molecular weight of 374.40 g/mol.

Molecular Properties

Compound NameCID 70545917
PubChem CID70545917
Molecular FormulaC18H21N7NaO
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC Name—
SMILESCCN(CC)c1ccc(-c2cc(C)cc(C(=O)Nc3nn[nH]n3)n2)cc1.[Na]
InChIInChI=1S/C18H21N7O.Na/c1-4-25(5-2)14-8-6-13(7-9-14)15-10-12(3)11-16(19-15)17(26)20-18-21-23-24-22-18;/h6-11H,4-5H2,1-3H3,(H2,20,21,22,23,24,26);
InChIKeyNGSNWKNZROJZBH-UHFFFAOYSA-N
XLogP2.29
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

sodium 6-[4-(diethylamino)phenyl]-4-ethoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
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sodium;6-[4-(dimethylamino)phenyl]-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide;hydride
CID 173433554
6-(4-chlorophenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 12784865
6-(4-tert-butylphenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 12784883
5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 139676219
4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 12784870
CID 70476554
CID 70476554
4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 5197815
N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide
CID 110499370
N-[4-(diethylamino)phenyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109319014
N-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide
CID 113200658
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302

Frequently Asked Questions

What is the IUPAC name of CID 70545917?
The IUPAC name of CID 70545917 (CID 70545917) is not available.
What is the SMILES notation for CID 70545917?
The canonical SMILES for CID 70545917 is CCN(CC)c1ccc(-c2cc(C)cc(C(=O)Nc3nn[nH]n3)n2)cc1.[Na].
What is the InChIKey of CID 70545917?
The InChIKey is NGSNWKNZROJZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O.Na/c1-4-25(5-2)14-8-6-13(7-9-14)15-10-12(3)11-16(19-15)17(26)20-18-21-23-24-22-18;/h6-11H,4-5H2,1-3H3,(H2,20,21,22,23,24,26);.
What are the key properties of CID 70545917?
CID 70545917 has a molecular weight of 374.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70545917 is sourced from PubChem (CID 70545917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).