N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C24H27N5O3 — CID 68752561

IUPACN-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2=CCN(C(=O)C3CCOCC3)CC2)nc1)N1Cc2ccncc2C1
InChIInChI=1S/C24H27N5O3/c30-23(18-6-11-32-12-7-18)28-9-4-17(5-10-28)22-2-1-21(14-26-22)27-24(31)29-15-19-3-8-25-13-20(19)16-29/h1-4,8,13-14,18H,5-7,9-12,15-16H2,(H,27,31)
InChIKeyQBOQNMAOHAKBIM-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.07
Rot. Bonds3

About N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 68752561) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID68752561
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2=CCN(C(=O)C3CCOCC3)CC2)nc1)N1Cc2ccncc2C1
InChIInChI=1S/C24H27N5O3/c30-23(18-6-11-32-12-7-18)28-9-4-17(5-10-28)22-2-1-21(14-26-22)27-24(31)29-15-19-3-8-25-13-20(19)16-29/h1-4,8,13-14,18H,5-7,9-12,15-16H2,(H,27,31)
InChIKeyQBOQNMAOHAKBIM-UHFFFAOYSA-N
XLogP3.07
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 68752561) is N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is O=C(Nc1ccc(C2=CCN(C(=O)C3CCOCC3)CC2)nc1)N1Cc2ccncc2C1.
What is the InChIKey of N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is QBOQNMAOHAKBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c30-23(18-6-11-32-12-7-18)28-9-4-17(5-10-28)22-2-1-21(14-26-22)27-24(31)29-15-19-3-8-25-13-20(19)16-29/h1-4,8,13-14,18H,5-7,9-12,15-16H2,(H,27,31).
What are the key properties of N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 68752561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).