N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C21H18N4O2 — CID 52936150

IUPACN-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3ccc(-c4ccncc4)nc3[nH]2)c1
InChIInChI=1S/C21H18N4O2/c1-27-17-4-2-3-14(11-17)13-23-21(26)19-12-16-5-6-18(24-20(16)25-19)15-7-9-22-10-8-15/h2-12H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyKZTNIZPHJSIHOU-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.56
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 52936150) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID52936150
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3ccc(-c4ccncc4)nc3[nH]2)c1
InChIInChI=1S/C21H18N4O2/c1-27-17-4-2-3-14(11-17)13-23-21(26)19-12-16-5-6-18(24-20(16)25-19)15-7-9-22-10-8-15/h2-12H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyKZTNIZPHJSIHOU-UHFFFAOYSA-N
XLogP3.56
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 52936150) is N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is COc1cccc(CNC(=O)c2cc3ccc(-c4ccncc4)nc3[nH]2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is KZTNIZPHJSIHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-27-17-4-2-3-14(11-17)13-23-21(26)19-12-16-5-6-18(24-20(16)25-19)15-7-9-22-10-8-15/h2-12H,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 52936150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).