N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide

C19H22N6O — CID 126424203

IUPACN-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide
SMILESCc1ccccc1CN1CC[C@H](CNC(=O)c2ccn3nnnc3c2)C1
InChIInChI=1S/C19H22N6O/c1-14-4-2-3-5-17(14)13-24-8-6-15(12-24)11-20-19(26)16-7-9-25-18(10-16)21-22-23-25/h2-5,7,9-10,15H,6,8,11-13H2,1H3,(H,20,26)/t15-/m1/s1
InChIKeyMXOFTVDBRAPKHE-OAHLLOKOSA-N
MW350.43 g/mol
LogP1.68
Rot. Bonds5

About N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide

N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 126424203) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide
PubChem CID126424203
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide
SMILESCc1ccccc1CN1CC[C@H](CNC(=O)c2ccn3nnnc3c2)C1
InChIInChI=1S/C19H22N6O/c1-14-4-2-3-5-17(14)13-24-8-6-15(12-24)11-20-19(26)16-7-9-25-18(10-16)21-22-23-25/h2-5,7,9-10,15H,6,8,11-13H2,1H3,(H,20,26)/t15-/m1/s1
InChIKeyMXOFTVDBRAPKHE-OAHLLOKOSA-N
XLogP1.68
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 124750984
5-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 118778620
2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 95199376
[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
CID 95553487
1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70767251
N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)tetrazolo[1,5-a]pyridine-7-carboxamide
CID 72933735
N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide
CID 125156142
N-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide
CID 56707945
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 125168955
N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-oxopiperazine-1-carboxamide
CID 122568839
N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide
CID 56706496
3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 131903613

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide (CID 126424203) is N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide is Cc1ccccc1CN1CC[C@H](CNC(=O)c2ccn3nnnc3c2)C1.
What is the InChIKey of N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is MXOFTVDBRAPKHE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14-4-2-3-5-17(14)13-24-8-6-15(12-24)11-20-19(26)16-7-9-25-18(10-16)21-22-23-25/h2-5,7,9-10,15H,6,8,11-13H2,1H3,(H,20,26)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide?
N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 126424203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).