N,N-dimethyl-2-[[(4S)-3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide

C17H24N4O2S — CID 97462170

IUPACN,N-dimethyl-2-[[(4S)-3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide
SMILESCN(C)C(=O)COC[C@@H]1c2c(ncn2C)CCN1Cc1cccs1
InChIInChI=1S/C17H24N4O2S/c1-19(2)16(22)11-23-10-15-17-14(18-12-20(17)3)6-7-21(15)9-13-5-4-8-24-13/h4-5,8,12,15H,6-7,9-11H2,1-3H3/t15-/m1/s1
InChIKeyCLFBKCAQOVQKBR-OAHLLOKOSA-N
MW348.47 g/mol
LogP1.69
Rot. Bonds6

About N,N-dimethyl-2-[[(4S)-3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide

N,N-dimethyl-2-[[(4S)-3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide (PubChem CID 97462170) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(4S)-3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(4S)-3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide
PubChem CID97462170
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN,N-dimethyl-2-[[(4S)-3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide
SMILESCN(C)C(=O)COC[C@@H]1c2c(ncn2C)CCN1Cc1cccs1
InChIInChI=1S/C17H24N4O2S/c1-19(2)16(22)11-23-10-15-17-14(18-12-20(17)3)6-7-21(15)9-13-5-4-8-24-13/h4-5,8,12,15H,6-7,9-11H2,1-3H3/t15-/m1/s1
InChIKeyCLFBKCAQOVQKBR-OAHLLOKOSA-N
XLogP1.69
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[[3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155836388
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-[[1-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide
CID 131639700
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
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
N,N-dimethyl-2-[[8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 131663033
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 45183443
1-[(7S)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97368331
2-[[(3aS,5R,7aS)-1-(1,3-thiazol-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide
CID 97387200
N,N-dimethyl-2-[[1-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methoxy]acetamide
CID 131696041
N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131677678
2-[[(4aR,6S,7aS)-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-N,N-dimethylacetamide
CID 124806966

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(4S)-3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(4S)-3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide (CID 97462170) is N,N-dimethyl-2-[[(4S)-3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(4S)-3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(4S)-3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide is CN(C)C(=O)COC[C@@H]1c2c(ncn2C)CCN1Cc1cccs1.
What is the InChIKey of N,N-dimethyl-2-[[(4S)-3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide?
The InChIKey is CLFBKCAQOVQKBR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-19(2)16(22)11-23-10-15-17-14(18-12-20(17)3)6-7-21(15)9-13-5-4-8-24-13/h4-5,8,12,15H,6-7,9-11H2,1-3H3/t15-/m1/s1.
What are the key properties of N,N-dimethyl-2-[[(4S)-3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide?
N,N-dimethyl-2-[[(4S)-3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide has a molecular weight of 348.47 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(4S)-3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide is sourced from PubChem (CID 97462170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).