N-[2-[[3-(3,5-dimethoxybenzoyl)-1-methylpyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide

C26H24N4O4 — CID 146271566

IUPACN-[2-[[3-(3,5-dimethoxybenzoyl)-1-methylpyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1Nc1ccc2c(C(=O)c3cc(OC)cc(OC)c3)cn(C)c2n1
InChIInChI=1S/C26H24N4O4/c1-5-24(31)28-22-9-7-6-8-21(22)27-23-11-10-19-20(15-30(2)26(19)29-23)25(32)16-12-17(33-3)14-18(13-16)34-4/h5-15H,1H2,2-4H3,(H,27,29)(H,28,31)
InChIKeyCTOGOKDZTMAQHM-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.69
Rot. Bonds8

About N-[2-[[3-(3,5-dimethoxybenzoyl)-1-methylpyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide

N-[2-[[3-(3,5-dimethoxybenzoyl)-1-methylpyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide (PubChem CID 146271566) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-[2-[[3-(3,5-dimethoxybenzoyl)-1-methylpyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[[3-(3,5-dimethoxybenzoyl)-1-methylpyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide
PubChem CID146271566
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC NameN-[2-[[3-(3,5-dimethoxybenzoyl)-1-methylpyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1Nc1ccc2c(C(=O)c3cc(OC)cc(OC)c3)cn(C)c2n1
InChIInChI=1S/C26H24N4O4/c1-5-24(31)28-22-9-7-6-8-21(22)27-23-11-10-19-20(15-30(2)26(19)29-23)25(32)16-12-17(33-3)14-18(13-16)34-4/h5-15H,1H2,2-4H3,(H,27,29)(H,28,31)
InChIKeyCTOGOKDZTMAQHM-UHFFFAOYSA-N
XLogP4.69
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[[3-(3,5-dimethoxybenzoyl)-1-methylpyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide with MolForge

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Related Compounds

Imidazo[1,2-c]pyrimidine-8-carboxamide, 10k
CID 25138160
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10t
CID 25138168
Imidazo[1,2-c]pyrimidine-8-carboxamide, 11
CID 25138169
Imidazo[1,2-c]pyrimidine-8-carboxamide, 12
CID 25138170
Imidazo[1,2-c]pyrimidine-8-carboxamide, 22
CID 25138174
3,4,5-trimethoxy-N-(3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 983446
3,4,5-trimethoxy-N-(3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 1084380
N-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 10154537
(6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxy-phenyl)-methanone
CID 52951492
N-[2-[[3-[(3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide
CID 146271330
N-[2-[[3-(3,5-dimethoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-methylphenyl]prop-2-enamide
CID 146271377
N-[2-[[3-(3-methoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide
CID 146271378

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(3,5-dimethoxybenzoyl)-1-methylpyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[[3-(3,5-dimethoxybenzoyl)-1-methylpyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide (CID 146271566) is N-[2-[[3-(3,5-dimethoxybenzoyl)-1-methylpyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[[3-(3,5-dimethoxybenzoyl)-1-methylpyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[[3-(3,5-dimethoxybenzoyl)-1-methylpyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1Nc1ccc2c(C(=O)c3cc(OC)cc(OC)c3)cn(C)c2n1.
What is the InChIKey of N-[2-[[3-(3,5-dimethoxybenzoyl)-1-methylpyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide?
The InChIKey is CTOGOKDZTMAQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-5-24(31)28-22-9-7-6-8-21(22)27-23-11-10-19-20(15-30(2)26(19)29-23)25(32)16-12-17(33-3)14-18(13-16)34-4/h5-15H,1H2,2-4H3,(H,27,29)(H,28,31).
What are the key properties of N-[2-[[3-(3,5-dimethoxybenzoyl)-1-methylpyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide?
N-[2-[[3-(3,5-dimethoxybenzoyl)-1-methylpyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide has a molecular weight of 456.50 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(3,5-dimethoxybenzoyl)-1-methylpyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 146271566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).