N-[4-[1-(4-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

C24H24N4O3 — CID 138560936

IUPACN-[4-[1-(4-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCC1CN(C(=O)c2ccc(O)cc2)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12
InChIInChI=1S/C24H24N4O3/c1-14-13-28(24(31)16-4-6-17(29)7-5-16)11-9-18(14)20-12-21(27-23(30)15-2-3-15)26-22-19(20)8-10-25-22/h4-10,12,14-15,29H,2-3,11,13H2,1H3,(H2,25,26,27,30)
InChIKeySEIDOXCSCCBUBJ-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.79
Rot. Bonds4

About N-[4-[1-(4-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

N-[4-[1-(4-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 138560936) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[4-[1-(4-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-(4-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID138560936
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[4-[1-(4-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCC1CN(C(=O)c2ccc(O)cc2)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12
InChIInChI=1S/C24H24N4O3/c1-14-13-28(24(31)16-4-6-17(29)7-5-16)11-9-18(14)20-12-21(27-23(30)15-2-3-15)26-22-19(20)8-10-25-22/h4-10,12,14-15,29H,2-3,11,13H2,1H3,(H2,25,26,27,30)
InChIKeySEIDOXCSCCBUBJ-UHFFFAOYSA-N
XLogP3.79
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Atropisomer 1
CID 44605611
(3s)-3-(4-Hydroxyphenyl)-1,5-Dihydro-1,5,12-Triazabenzo[4,5]cycloocta[1,2,3-Cd]inden-4(3h)-One
CID 49867181
10-(2-Fluoro-4-hydroxyphenyl)-9,13,15-triazatetracyclo[9.6.1.0^{2,7}.0^{14,18}]octadeca-1(17),2(7),3,5,11,14(18),15-heptaen-8-one
CID 46224997
N,N-dimethyl-4-[[4-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,5-triazin-2-yl]oxy]benzamide
CID 122658882
N,3-bis(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 137648784
N-[4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
CID 137649821
N-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 137657812
2-cyclopentyl-4-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 145961342
(2E)-6-hydroxy-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 156011177
4-[2-[5-(diethylaminomethyl)-2-hydroxyphenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-propan-2-ylbenzoic acid
CID 162668481
N-cyclopropyl-4-[3-(4-hydroxyphenyl) imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 137001364
1-[(3,4-difluorophenyl)methyl]-N-[[4-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
CID 59362781

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-(4-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 138560936) is N-[4-[1-(4-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-(4-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-(4-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is CC1CN(C(=O)c2ccc(O)cc2)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12.
What is the InChIKey of N-[4-[1-(4-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is SEIDOXCSCCBUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-14-13-28(24(31)16-4-6-17(29)7-5-16)11-9-18(14)20-12-21(27-23(30)15-2-3-15)26-22-19(20)8-10-25-22/h4-10,12,14-15,29H,2-3,11,13H2,1H3,(H2,25,26,27,30).
What are the key properties of N-[4-[1-(4-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-[1-(4-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138560936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).