N-(2,5-dimethoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C22H24N4O3 — CID 53161153

IUPACN-(2,5-dimethoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2CC=C(c3cn(C)c4ncccc34)CC2)c1
InChIInChI=1S/C22H24N4O3/c1-25-14-18(17-5-4-10-23-21(17)25)15-8-11-26(12-9-15)22(27)24-19-13-16(28-2)6-7-20(19)29-3/h4-8,10,13-14H,9,11-12H2,1-3H3,(H,24,27)
InChIKeyMMBPSELJTQLCKX-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.91
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(2,5-dimethoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 53161153) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID53161153
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2,5-dimethoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2CC=C(c3cn(C)c4ncccc34)CC2)c1
InChIInChI=1S/C22H24N4O3/c1-25-14-18(17-5-4-10-23-21(17)25)15-8-11-26(12-9-15)22(27)24-19-13-16(28-2)6-7-20(19)29-3/h4-8,10,13-14H,9,11-12H2,1-3H3,(H,24,27)
InChIKeyMMBPSELJTQLCKX-UHFFFAOYSA-N
XLogP3.91
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53161157
N-(3,5-dimethoxyphenyl)-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53161211
3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine
CID 71840197
N-cyclohexyl-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53161224
N-cyclohexyl-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53161214
N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83273552
N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 4987994
N-[(2-methoxyphenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44634277
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44632631
N-(3-cyano-2-pyridinyl)-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 69448105
N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185486
N-(2,5-dimethoxyphenyl)-1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066866

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 53161153) is N-(2,5-dimethoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is COc1ccc(OC)c(NC(=O)N2CC=C(c3cn(C)c4ncccc34)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is MMBPSELJTQLCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-25-14-18(17-5-4-10-23-21(17)25)15-8-11-26(12-9-15)22(27)24-19-13-16(28-2)6-7-20(19)29-3/h4-8,10,13-14H,9,11-12H2,1-3H3,(H,24,27).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(2,5-dimethoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 53161153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).