N,N-dimethyl-2-[4-[[3-methyl-5-(trifluoromethyl)-4-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]acetamide

C18H18F3N5O — CID 146283914

IUPACN,N-dimethyl-2-[4-[[3-methyl-5-(trifluoromethyl)-4-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]acetamide
SMILESCc1cncc(C(F)(F)F)c1Nc1nccc2c1ccn2CC(=O)N(C)C
InChIInChI=1S/C18H18F3N5O/c1-11-8-22-9-13(18(19,20)21)16(11)24-17-12-5-7-26(10-15(27)25(2)3)14(12)4-6-23-17/h4-9H,10H2,1-3H3,(H,22,23,24)
InChIKeyJYBUHBSXMZRTNP-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.59
Rot. Bonds4

About N,N-dimethyl-2-[4-[[3-methyl-5-(trifluoromethyl)-4-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]acetamide

N,N-dimethyl-2-[4-[[3-methyl-5-(trifluoromethyl)-4-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]acetamide (PubChem CID 146283914) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[[3-methyl-5-(trifluoromethyl)-4-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[[3-methyl-5-(trifluoromethyl)-4-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]acetamide
PubChem CID146283914
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC NameN,N-dimethyl-2-[4-[[3-methyl-5-(trifluoromethyl)-4-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]acetamide
SMILESCc1cncc(C(F)(F)F)c1Nc1nccc2c1ccn2CC(=O)N(C)C
InChIInChI=1S/C18H18F3N5O/c1-11-8-22-9-13(18(19,20)21)16(11)24-17-12-5-7-26(10-15(27)25(2)3)14(12)4-6-23-17/h4-9H,10H2,1-3H3,(H,22,23,24)
InChIKeyJYBUHBSXMZRTNP-UHFFFAOYSA-N
XLogP3.59
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 146283885
2-[4-[(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)amino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 146283900
N,N-dimethyl-2-[4-[2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylanilino]pyrrolo[3,2-c]pyridin-1-yl]acetamide
CID 146283990
2-[4-[2-fluoro-6-methyl-4-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 156521862
2-[4-(2,4-difluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide
CID 153376780
2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide
CID 153376821
1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine
CID 162002734
N,N-dimethyl-2-[4-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]imidazo[4,5-c]pyridin-1-yl]acetamide
CID 156521753
2-[4-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 158557883
N-(3-chloro-5-methyl-4-pyridinyl)-1-(oxetan-3-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288454
N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 162464315
N,N-dimethyl-2-[4-[[2-methyl-6-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide
CID 161271654

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[[3-methyl-5-(trifluoromethyl)-4-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[[3-methyl-5-(trifluoromethyl)-4-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]acetamide (CID 146283914) is N,N-dimethyl-2-[4-[[3-methyl-5-(trifluoromethyl)-4-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[[3-methyl-5-(trifluoromethyl)-4-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[[3-methyl-5-(trifluoromethyl)-4-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]acetamide is Cc1cncc(C(F)(F)F)c1Nc1nccc2c1ccn2CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[4-[[3-methyl-5-(trifluoromethyl)-4-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]acetamide?
The InChIKey is JYBUHBSXMZRTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c1-11-8-22-9-13(18(19,20)21)16(11)24-17-12-5-7-26(10-15(27)25(2)3)14(12)4-6-23-17/h4-9H,10H2,1-3H3,(H,22,23,24).
What are the key properties of N,N-dimethyl-2-[4-[[3-methyl-5-(trifluoromethyl)-4-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]acetamide?
N,N-dimethyl-2-[4-[[3-methyl-5-(trifluoromethyl)-4-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]acetamide has a molecular weight of 377.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[[3-methyl-5-(trifluoromethyl)-4-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]acetamide is sourced from PubChem (CID 146283914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).