N-[(6-amino-2-pyridinyl)methyl]-2-(1-methyltetrazol-5-yl)-2-phenylacetamide

C16H17N7O — CID 121272893

IUPACN-[(6-amino-2-pyridinyl)methyl]-2-(1-methyltetrazol-5-yl)-2-phenylacetamide
SMILESCn1nnnc1C(C(=O)NCc1cccc(N)n1)c1ccccc1
InChIInChI=1S/C16H17N7O/c1-23-15(20-21-22-23)14(11-6-3-2-4-7-11)16(24)18-10-12-8-5-9-13(17)19-12/h2-9,14H,10H2,1H3,(H2,17,19)(H,18,24)
InChIKeyLQKHUJOTSGBNRP-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.64
Rot. Bonds5

About N-[(6-amino-2-pyridinyl)methyl]-2-(1-methyltetrazol-5-yl)-2-phenylacetamide

N-[(6-amino-2-pyridinyl)methyl]-2-(1-methyltetrazol-5-yl)-2-phenylacetamide (PubChem CID 121272893) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)methyl]-2-(1-methyltetrazol-5-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)methyl]-2-(1-methyltetrazol-5-yl)-2-phenylacetamide
PubChem CID121272893
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC NameN-[(6-amino-2-pyridinyl)methyl]-2-(1-methyltetrazol-5-yl)-2-phenylacetamide
SMILESCn1nnnc1C(C(=O)NCc1cccc(N)n1)c1ccccc1
InChIInChI=1S/C16H17N7O/c1-23-15(20-21-22-23)14(11-6-3-2-4-7-11)16(24)18-10-12-8-5-9-13(17)19-12/h2-9,14H,10H2,1H3,(H2,17,19)(H,18,24)
InChIKeyLQKHUJOTSGBNRP-UHFFFAOYSA-N
XLogP0.64
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2,2-diphenylacetamide
CID 99792576
2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide
CID 121195878
2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 77097676
1-methyl-5-[nitroso(phenyl)methyl]tetrazole
CID 91094725
N-[(6-methyl-2-pyridinyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 47353750
N-(2-amino-2-methylpropyl)-2,2-diphenylacetamide
CID 119628942
(2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 7042204
(2S)-2-amino-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 79022904
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
(2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide
CID 93444407
(2S)-2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
CID 61164027
2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide
CID 110870969

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)methyl]-2-(1-methyltetrazol-5-yl)-2-phenylacetamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)methyl]-2-(1-methyltetrazol-5-yl)-2-phenylacetamide (CID 121272893) is N-[(6-amino-2-pyridinyl)methyl]-2-(1-methyltetrazol-5-yl)-2-phenylacetamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)methyl]-2-(1-methyltetrazol-5-yl)-2-phenylacetamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)methyl]-2-(1-methyltetrazol-5-yl)-2-phenylacetamide is Cn1nnnc1C(C(=O)NCc1cccc(N)n1)c1ccccc1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)methyl]-2-(1-methyltetrazol-5-yl)-2-phenylacetamide?
The InChIKey is LQKHUJOTSGBNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c1-23-15(20-21-22-23)14(11-6-3-2-4-7-11)16(24)18-10-12-8-5-9-13(17)19-12/h2-9,14H,10H2,1H3,(H2,17,19)(H,18,24).
What are the key properties of N-[(6-amino-2-pyridinyl)methyl]-2-(1-methyltetrazol-5-yl)-2-phenylacetamide?
N-[(6-amino-2-pyridinyl)methyl]-2-(1-methyltetrazol-5-yl)-2-phenylacetamide has a molecular weight of 323.36 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)methyl]-2-(1-methyltetrazol-5-yl)-2-phenylacetamide is sourced from PubChem (CID 121272893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).