N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide

C17H19N5O — CID 118249007

IUPACN-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc3c(c2)c(N(C)C)cn3C)ccn1
InChIInChI=1S/C17H19N5O/c1-11(23)20-16-8-12(5-6-18-16)13-7-14-15(21(2)3)10-22(4)17(14)19-9-13/h5-10H,1-4H3,(H,18,20,23)
InChIKeyMMSAVZZXHHBDIM-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.66
Rot. Bonds3

About N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide

N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide (PubChem CID 118249007) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide
PubChem CID118249007
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc3c(c2)c(N(C)C)cn3C)ccn1
InChIInChI=1S/C17H19N5O/c1-11(23)20-16-8-12(5-6-18-16)13-7-14-15(21(2)3)10-22(4)17(14)19-9-13/h5-10H,1-4H3,(H,18,20,23)
InChIKeyMMSAVZZXHHBDIM-UHFFFAOYSA-N
XLogP2.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-[benzenesulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293459
N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 144889170
[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate
CID 123249562
N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide
CID 158101881
N-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118237846
N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 144889453
N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118238365
N-[4-[5-(2-oxo-3-phenylpropyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 159265586
5-(2-acetamido-4-pyridinyl)-N-butan-2-yl-N-methyl-2-(methylamino)pyridine-3-carboxamide;propane
CID 144889206
N-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 166785667
N-[4-[5-(azetidin-1-ylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293550
N-(4-pyridin-2-yl-2-pyridinyl)acetamide
CID 22601790

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide (CID 118249007) is N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc3c(c2)c(N(C)C)cn3C)ccn1.
What is the InChIKey of N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide?
The InChIKey is MMSAVZZXHHBDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11(23)20-16-8-12(5-6-18-16)13-7-14-15(21(2)3)10-22(4)17(14)19-9-13/h5-10H,1-4H3,(H,18,20,23).
What are the key properties of N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide?
N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118249007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).