N-(furan-2-ylmethyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide

C20H18N4O3 — CID 134807268

IUPACN-(furan-2-ylmethyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
SMILESCOc1ncccc1-c1cnc2[nH]cc(CC(=O)NCc3ccco3)c2c1
InChIInChI=1S/C20H18N4O3/c1-26-20-16(5-2-6-21-20)13-8-17-14(11-24-19(17)23-10-13)9-18(25)22-12-15-4-3-7-27-15/h2-8,10-11H,9,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyJNIFTPMTYDWVBF-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.09
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide

N-(furan-2-ylmethyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide (PubChem CID 134807268) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
PubChem CID134807268
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-(furan-2-ylmethyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
SMILESCOc1ncccc1-c1cnc2[nH]cc(CC(=O)NCc3ccco3)c2c1
InChIInChI=1S/C20H18N4O3/c1-26-20-16(5-2-6-21-20)13-8-17-14(11-24-19(17)23-10-13)9-18(25)22-12-15-4-3-7-27-15/h2-8,10-11H,9,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyJNIFTPMTYDWVBF-UHFFFAOYSA-N
XLogP3.09
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide (CID 134807268) is N-(furan-2-ylmethyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide is COc1ncccc1-c1cnc2[nH]cc(CC(=O)NCc3ccco3)c2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The InChIKey is JNIFTPMTYDWVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-26-20-16(5-2-6-21-20)13-8-17-14(11-24-19(17)23-10-13)9-18(25)22-12-15-4-3-7-27-15/h2-8,10-11H,9,12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(furan-2-ylmethyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
N-(furan-2-ylmethyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide has a molecular weight of 362.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 134807268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).