N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide

C19H19N3O2 — CID 137489588

IUPACN-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCn1ccc2cc(C(=O)N[C@H]3COc4ccccc4C3)cnc21
InChIInChI=1S/C19H19N3O2/c1-2-22-8-7-14-9-15(11-20-18(14)22)19(23)21-16-10-13-5-3-4-6-17(13)24-12-16/h3-9,11,16H,2,10,12H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyNTGSGFVBUZJSIK-MRXNPFEDSA-N
MW321.38 g/mol
LogP2.79
Rot. Bonds3

About N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide

N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 137489588) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID137489588
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCn1ccc2cc(C(=O)N[C@H]3COc4ccccc4C3)cnc21
InChIInChI=1S/C19H19N3O2/c1-2-22-8-7-14-9-15(11-20-18(14)22)19(23)21-16-10-13-5-3-4-6-17(13)24-12-16/h3-9,11,16H,2,10,12H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyNTGSGFVBUZJSIK-MRXNPFEDSA-N
XLogP2.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide (CID 137489588) is N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide is CCn1ccc2cc(C(=O)N[C@H]3COc4ccccc4C3)cnc21.
What is the InChIKey of N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is NTGSGFVBUZJSIK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-22-8-7-14-9-15(11-20-18(14)22)19(23)21-16-10-13-5-3-4-6-17(13)24-12-16/h3-9,11,16H,2,10,12H2,1H3,(H,21,23)/t16-/m1/s1.
What are the key properties of N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 137489588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).