5-methylidene-N-pyridin-1-ium-3-yl-7-pyridin-2-yl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

C16H15N8O+ — CID 3473013

IUPAC5-methylidene-N-pyridin-1-ium-3-yl-7-pyridin-2-yl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESC=C1Nc2nnnn2C(c2ccccn2)C1C(=O)Nc1ccc[nH+]c1
InChIInChI=1S/C16H14N8O/c1-10-13(15(25)20-11-5-4-7-17-9-11)14(12-6-2-3-8-18-12)24-16(19-10)21-22-23-24/h2-9,13-14H,1H2,(H,20,25)(H,19,21,23)/p+1
InChIKeyIKYZRRLIQHCGOK-UHFFFAOYSA-O
MW335.35 g/mol
LogP0.67
Rot. Bonds3

About 5-methylidene-N-pyridin-1-ium-3-yl-7-pyridin-2-yl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

5-methylidene-N-pyridin-1-ium-3-yl-7-pyridin-2-yl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3473013) has the molecular formula C16H15N8O+ and a molecular weight of 335.35 g/mol. Its IUPAC name is 5-methylidene-N-pyridin-1-ium-3-yl-7-pyridin-2-yl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methylidene-N-pyridin-1-ium-3-yl-7-pyridin-2-yl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3473013
Molecular FormulaC16H15N8O+
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name5-methylidene-N-pyridin-1-ium-3-yl-7-pyridin-2-yl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESC=C1Nc2nnnn2C(c2ccccn2)C1C(=O)Nc1ccc[nH+]c1
InChIInChI=1S/C16H14N8O/c1-10-13(15(25)20-11-5-4-7-17-9-11)14(12-6-2-3-8-18-12)24-16(19-10)21-22-23-24/h2-9,13-14H,1H2,(H,20,25)(H,19,21,23)/p+1
InChIKeyIKYZRRLIQHCGOK-UHFFFAOYSA-O
XLogP0.67
TPSA111.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-(3-methoxy-4-phenylmethoxyphenyl)-5-methylidene-N-pyridin-1-ium-3-yl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4608855
7-(4-bromophenyl)-5-methylidene-N-phenyl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3274271
7-(4-bromophenyl)-2-(3-hydroxypropyl)-5-methylidene-N-pyridin-1-ium-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4149445
7-(3-ethoxy-4-phenylmethoxyphenyl)-5-methylidene-N-pyridin-1-ium-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4070844
7-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5047808
(6R,7S)-N-benzyl-5-methylidene-7-pyridin-2-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 2036397
1-(5-methylidene-7-pyridin-2-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 5166342
methyl 7-(3,4-dimethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 3529804
(6R,7S)-7-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-5-methylidene-N-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 2142080
(6S,7R)-7-(4-fluorophenyl)-5-methylidene-N-pyridin-2-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 2324768
methyl (6S,7R)-7-(4-ethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2233796
ethyl 7-(3-methoxy-4-phenylmethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 3274269

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-N-pyridin-1-ium-3-yl-7-pyridin-2-yl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methylidene-N-pyridin-1-ium-3-yl-7-pyridin-2-yl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 3473013) is 5-methylidene-N-pyridin-1-ium-3-yl-7-pyridin-2-yl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methylidene-N-pyridin-1-ium-3-yl-7-pyridin-2-yl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methylidene-N-pyridin-1-ium-3-yl-7-pyridin-2-yl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is C=C1Nc2nnnn2C(c2ccccn2)C1C(=O)Nc1ccc[nH+]c1.
What is the InChIKey of 5-methylidene-N-pyridin-1-ium-3-yl-7-pyridin-2-yl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is IKYZRRLIQHCGOK-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H14N8O/c1-10-13(15(25)20-11-5-4-7-17-9-11)14(12-6-2-3-8-18-12)24-16(19-10)21-22-23-24/h2-9,13-14H,1H2,(H,20,25)(H,19,21,23)/p+1.
What are the key properties of 5-methylidene-N-pyridin-1-ium-3-yl-7-pyridin-2-yl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
5-methylidene-N-pyridin-1-ium-3-yl-7-pyridin-2-yl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 335.35 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-N-pyridin-1-ium-3-yl-7-pyridin-2-yl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3473013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).