2-amino-3-(4-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide

C23H20N4O2 — CID 175833954

IUPAC2-amino-3-(4-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide
SMILESCOc1ccc(C=C(N)C(=O)Nc2ccc(-c3ccnc4[nH]ccc34)cc2)cc1
InChIInChI=1S/C23H20N4O2/c1-29-18-8-2-15(3-9-18)14-21(24)23(28)27-17-6-4-16(5-7-17)19-10-12-25-22-20(19)11-13-26-22/h2-14H,24H2,1H3,(H,25,26)(H,27,28)
InChIKeyBUQJGIIIOLBCIP-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.18
Rot. Bonds5

About 2-amino-3-(4-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide

2-amino-3-(4-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide (PubChem CID 175833954) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-amino-3-(4-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-amino-3-(4-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide
PubChem CID175833954
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name2-amino-3-(4-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide
SMILESCOc1ccc(C=C(N)C(=O)Nc2ccc(-c3ccnc4[nH]ccc34)cc2)cc1
InChIInChI=1S/C23H20N4O2/c1-29-18-8-2-15(3-9-18)14-21(24)23(28)27-17-6-4-16(5-7-17)19-10-12-25-22-20(19)11-13-26-22/h2-14H,24H2,1H3,(H,25,26)(H,27,28)
InChIKeyBUQJGIIIOLBCIP-UHFFFAOYSA-N
XLogP4.18
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 66827127
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 11999608
1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea
CID 175807775
1-butyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea
CID 175807595
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
1-ethanimidoyl-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea
CID 146418275
(Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide
CID 56968407
2-(dimethylamino)-3-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide
CID 176840685
(Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide
CID 56968849
(Z)-2-methoxy-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 56968197
3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57482985
(2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide
CID 165404742

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide?
The IUPAC name of 2-amino-3-(4-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide (CID 175833954) is 2-amino-3-(4-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide.
What is the SMILES notation for 2-amino-3-(4-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide?
The canonical SMILES for 2-amino-3-(4-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide is COc1ccc(C=C(N)C(=O)Nc2ccc(-c3ccnc4[nH]ccc34)cc2)cc1.
What is the InChIKey of 2-amino-3-(4-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide?
The InChIKey is BUQJGIIIOLBCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-29-18-8-2-15(3-9-18)14-21(24)23(28)27-17-6-4-16(5-7-17)19-10-12-25-22-20(19)11-13-26-22/h2-14H,24H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 2-amino-3-(4-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide?
2-amino-3-(4-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide has a molecular weight of 384.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 175833954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).