N-[4-[1-(1,2,5-oxadiazole-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

C19H18N6O3 — CID 138560675

IUPACN-[4-[1-(1,2,5-oxadiazole-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(C2=CCN(C(=O)c3cnon3)CC2)c2cc[nH]c2n1)C1CC1
InChIInChI=1S/C19H18N6O3/c26-18(12-1-2-12)23-16-9-14(13-3-6-20-17(13)22-16)11-4-7-25(8-5-11)19(27)15-10-21-28-24-15/h3-4,6,9-10,12H,1-2,5,7-8H2,(H2,20,22,23,26)
InChIKeyKLRGSCOQCOYKCT-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.22
Rot. Bonds4

About N-[4-[1-(1,2,5-oxadiazole-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

N-[4-[1-(1,2,5-oxadiazole-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 138560675) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[4-[1-(1,2,5-oxadiazole-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-(1,2,5-oxadiazole-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID138560675
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC NameN-[4-[1-(1,2,5-oxadiazole-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(C2=CCN(C(=O)c3cnon3)CC2)c2cc[nH]c2n1)C1CC1
InChIInChI=1S/C19H18N6O3/c26-18(12-1-2-12)23-16-9-14(13-3-6-20-17(13)22-16)11-4-7-25(8-5-11)19(27)15-10-21-28-24-15/h3-4,6,9-10,12H,1-2,5,7-8H2,(H2,20,22,23,26)
InChIKeyKLRGSCOQCOYKCT-UHFFFAOYSA-N
XLogP2.22
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1,2,5-oxadiazole-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-(1,2,5-oxadiazole-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 138560675) is N-[4-[1-(1,2,5-oxadiazole-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-(1,2,5-oxadiazole-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-(1,2,5-oxadiazole-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is O=C(Nc1cc(C2=CCN(C(=O)c3cnon3)CC2)c2cc[nH]c2n1)C1CC1.
What is the InChIKey of N-[4-[1-(1,2,5-oxadiazole-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is KLRGSCOQCOYKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3/c26-18(12-1-2-12)23-16-9-14(13-3-6-20-17(13)22-16)11-4-7-25(8-5-11)19(27)15-10-21-28-24-15/h3-4,6,9-10,12H,1-2,5,7-8H2,(H2,20,22,23,26).
What are the key properties of N-[4-[1-(1,2,5-oxadiazole-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-[1-(1,2,5-oxadiazole-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 378.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1,2,5-oxadiazole-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138560675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).