3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylpyrrolo[3,2-b]pyridin-3-yl)methyl]prop-2-enamide

C18H19N5O — CID 66905038

IUPAC3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylpyrrolo[3,2-b]pyridin-3-yl)methyl]prop-2-enamide
SMILESCN(Cc1cn(C)c2cccnc12)C(=O)C=Cc1ccc(N)nc1
InChIInChI=1S/C18H19N5O/c1-22-11-14(18-15(22)4-3-9-20-18)12-23(2)17(24)8-6-13-5-7-16(19)21-10-13/h3-11H,12H2,1-2H3,(H2,19,21)
InChIKeyLGNRWDSLXXZVLR-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.22
Rot. Bonds4

About 3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylpyrrolo[3,2-b]pyridin-3-yl)methyl]prop-2-enamide

3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylpyrrolo[3,2-b]pyridin-3-yl)methyl]prop-2-enamide (PubChem CID 66905038) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylpyrrolo[3,2-b]pyridin-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylpyrrolo[3,2-b]pyridin-3-yl)methyl]prop-2-enamide
PubChem CID66905038
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylpyrrolo[3,2-b]pyridin-3-yl)methyl]prop-2-enamide
SMILESCN(Cc1cn(C)c2cccnc12)C(=O)C=Cc1ccc(N)nc1
InChIInChI=1S/C18H19N5O/c1-22-11-14(18-15(22)4-3-9-20-18)12-23(2)17(24)8-6-13-5-7-16(19)21-10-13/h3-11H,12H2,1-2H3,(H2,19,21)
InChIKeyLGNRWDSLXXZVLR-UHFFFAOYSA-N
XLogP2.22
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(6-amino-3-pyridinyl)-N-[(4,6-dichloro-1-methylindol-2-yl)methyl]-N-methylprop-2-enamide
CID 66780792
3-(6-amino-3-pyridinyl)-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]prop-2-enamide
CID 73301288
3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide
CID 66905357
(E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(Z)-2-(N-methylanilino)hex-2-enyl]prop-2-enamide
CID 142907224
(Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid
CID 95473874
(E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]prop-2-enamide
CID 66780654
3-(2-aminopyrimidin-5-yl)-N-[(1,2-dimethylindol-3-yl)methyl]-N-methylprop-2-enamide
CID 66780861
N-[2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 141008182
N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide
CID 115166394
3-(6-amino-5-cyano-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
CID 66967906
(E)-N-[(2-chlorophenyl)methyl]-N-methyl-3-quinolin-8-ylprop-2-enamide
CID 18152800
(E)-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-3-pyridin-4-ylprop-2-enamide
CID 39443747

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylpyrrolo[3,2-b]pyridin-3-yl)methyl]prop-2-enamide?
The IUPAC name of 3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylpyrrolo[3,2-b]pyridin-3-yl)methyl]prop-2-enamide (CID 66905038) is 3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylpyrrolo[3,2-b]pyridin-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylpyrrolo[3,2-b]pyridin-3-yl)methyl]prop-2-enamide?
The canonical SMILES for 3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylpyrrolo[3,2-b]pyridin-3-yl)methyl]prop-2-enamide is CN(Cc1cn(C)c2cccnc12)C(=O)C=Cc1ccc(N)nc1.
What is the InChIKey of 3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylpyrrolo[3,2-b]pyridin-3-yl)methyl]prop-2-enamide?
The InChIKey is LGNRWDSLXXZVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-22-11-14(18-15(22)4-3-9-20-18)12-23(2)17(24)8-6-13-5-7-16(19)21-10-13/h3-11H,12H2,1-2H3,(H2,19,21).
What are the key properties of 3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylpyrrolo[3,2-b]pyridin-3-yl)methyl]prop-2-enamide?
3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylpyrrolo[3,2-b]pyridin-3-yl)methyl]prop-2-enamide has a molecular weight of 321.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylpyrrolo[3,2-b]pyridin-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 66905038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).