2-N-(oxan-4-yl)-5-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-2,5-dicarboxamide

C26H26N4O4 — CID 90861827

IUPAC2-N-(oxan-4-yl)-5-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-2,5-dicarboxamide
SMILESO=C(N[C@@H]1COc2cccc(-c3ccncc3)c2C1)c1ccc(C(=O)NC2CCOCC2)nc1
InChIInChI=1S/C26H26N4O4/c31-25(18-4-5-23(28-15-18)26(32)29-19-8-12-33-13-9-19)30-20-14-22-21(17-6-10-27-11-7-17)2-1-3-24(22)34-16-20/h1-7,10-11,15,19-20H,8-9,12-14,16H2,(H,29,32)(H,30,31)/t20-/m0/s1
InChIKeyCKHONAMUSKHITQ-FQEVSTJZSA-N
MW458.52 g/mol
LogP2.79
Rot. Bonds5

About 2-N-(oxan-4-yl)-5-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-2,5-dicarboxamide

2-N-(oxan-4-yl)-5-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-2,5-dicarboxamide (PubChem CID 90861827) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-N-(oxan-4-yl)-5-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(oxan-4-yl)-5-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-2,5-dicarboxamide
PubChem CID90861827
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name2-N-(oxan-4-yl)-5-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-2,5-dicarboxamide
SMILESO=C(N[C@@H]1COc2cccc(-c3ccncc3)c2C1)c1ccc(C(=O)NC2CCOCC2)nc1
InChIInChI=1S/C26H26N4O4/c31-25(18-4-5-23(28-15-18)26(32)29-19-8-12-33-13-9-19)30-20-14-22-21(17-6-10-27-11-7-17)2-1-3-24(22)34-16-20/h1-7,10-11,15,19-20H,8-9,12-14,16H2,(H,29,32)(H,30,31)/t20-/m0/s1
InChIKeyCKHONAMUSKHITQ-FQEVSTJZSA-N
XLogP2.79
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(oxan-4-yl)-5-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-(oxan-4-yl)-5-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-2,5-dicarboxamide (CID 90861827) is 2-N-(oxan-4-yl)-5-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(oxan-4-yl)-5-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-(oxan-4-yl)-5-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-2,5-dicarboxamide is O=C(N[C@@H]1COc2cccc(-c3ccncc3)c2C1)c1ccc(C(=O)NC2CCOCC2)nc1.
What is the InChIKey of 2-N-(oxan-4-yl)-5-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-2,5-dicarboxamide?
The InChIKey is CKHONAMUSKHITQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H26N4O4/c31-25(18-4-5-23(28-15-18)26(32)29-19-8-12-33-13-9-19)30-20-14-22-21(17-6-10-27-11-7-17)2-1-3-24(22)34-16-20/h1-7,10-11,15,19-20H,8-9,12-14,16H2,(H,29,32)(H,30,31)/t20-/m0/s1.
What are the key properties of 2-N-(oxan-4-yl)-5-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-2,5-dicarboxamide?
2-N-(oxan-4-yl)-5-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-2,5-dicarboxamide has a molecular weight of 458.52 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxan-4-yl)-5-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 90861827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).