N,N-dimethyl-2-[[(7S)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide

C17H24N6O2 — CID 97406238

IUPACN,N-dimethyl-2-[[(7S)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide
SMILESCN(C)C(=O)COC[C@H]1CN(Cc2ccncc2)Cc2nnn(C)c21
InChIInChI=1S/C17H24N6O2/c1-21(2)16(24)12-25-11-14-9-23(8-13-4-6-18-7-5-13)10-15-17(14)22(3)20-19-15/h4-7,14H,8-12H2,1-3H3/t14-/m1/s1
InChIKeySNDLVRCHNMYCCO-CQSZACIVSA-N
MW344.42 g/mol
LogP0.41
Rot. Bonds6

About N,N-dimethyl-2-[[(7S)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide

N,N-dimethyl-2-[[(7S)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide (PubChem CID 97406238) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(7S)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(7S)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide
PubChem CID97406238
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN,N-dimethyl-2-[[(7S)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide
SMILESCN(C)C(=O)COC[C@H]1CN(Cc2ccncc2)Cc2nnn(C)c21
InChIInChI=1S/C17H24N6O2/c1-21(2)16(24)12-25-11-14-9-23(8-13-4-6-18-7-5-13)10-15-17(14)22(3)20-19-15/h4-7,14H,8-12H2,1-3H3/t14-/m1/s1
InChIKeySNDLVRCHNMYCCO-CQSZACIVSA-N
XLogP0.41
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-2-[[(7S)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide
CID 97383334
N,N-dimethyl-2-[[(7R)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide
CID 97383340
2-[[(7S)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide
CID 97406240
N,N-dimethyl-2-[[1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;tris(2,2,2-trifluoroacetic acid)
CID 171685869
2-[[5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide
CID 131652679
N,N-dimethyl-2-[[1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide
CID 134070194
5-(cyclopropylmethyl)-1-methyl-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131642797
N,N-dimethyl-2-[[1-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide
CID 131639700
(7S)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383391
(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383358
1-methyl-7-(phenylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155824961
5-[(4-fluorophenyl)methyl]-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 155844898

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(7S)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(7S)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide (CID 97406238) is N,N-dimethyl-2-[[(7S)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(7S)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(7S)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide is CN(C)C(=O)COC[C@H]1CN(Cc2ccncc2)Cc2nnn(C)c21.
What is the InChIKey of N,N-dimethyl-2-[[(7S)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide?
The InChIKey is SNDLVRCHNMYCCO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-21(2)16(24)12-25-11-14-9-23(8-13-4-6-18-7-5-13)10-15-17(14)22(3)20-19-15/h4-7,14H,8-12H2,1-3H3/t14-/m1/s1.
What are the key properties of N,N-dimethyl-2-[[(7S)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide?
N,N-dimethyl-2-[[(7S)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide has a molecular weight of 344.42 g/mol, XLogP of 0.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(7S)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide is sourced from PubChem (CID 97406238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).