(2R)-4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide

C23H27N7O2 — CID 162647791

IUPAC(2R)-4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)[C@H]2CN(c3ccc(C4CC4)nc3)CCO2)n1
InChIInChI=1S/C23H27N7O2/c1-15(2)30-14-25-28-22(30)19-4-3-5-21(26-19)27-23(31)20-13-29(10-11-32-20)17-8-9-18(24-12-17)16-6-7-16/h3-5,8-9,12,14-16,20H,6-7,10-11,13H2,1-2H3,(H,26,27,31)/t20-/m1/s1
InChIKeyYFDUEWUWHYXMLI-HXUWFJFHSA-N
MW433.52 g/mol
LogP3.04
Rot. Bonds6

About (2R)-4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide

(2R)-4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide (PubChem CID 162647791) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is (2R)-4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide
PubChem CID162647791
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name(2R)-4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)[C@H]2CN(c3ccc(C4CC4)nc3)CCO2)n1
InChIInChI=1S/C23H27N7O2/c1-15(2)30-14-25-28-22(30)19-4-3-5-21(26-19)27-23(31)20-13-29(10-11-32-20)17-8-9-18(24-12-17)16-6-7-16/h3-5,8-9,12,14-16,20H,6-7,10-11,13H2,1-2H3,(H,26,27,31)/t20-/m1/s1
InChIKeyYFDUEWUWHYXMLI-HXUWFJFHSA-N
XLogP3.04
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide (CID 162647791) is (2R)-4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)[C@H]2CN(c3ccc(C4CC4)nc3)CCO2)n1.
What is the InChIKey of (2R)-4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide?
The InChIKey is YFDUEWUWHYXMLI-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-15(2)30-14-25-28-22(30)19-4-3-5-21(26-19)27-23(31)20-13-29(10-11-32-20)17-8-9-18(24-12-17)16-6-7-16/h3-5,8-9,12,14-16,20H,6-7,10-11,13H2,1-2H3,(H,26,27,31)/t20-/m1/s1.
What are the key properties of (2R)-4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide?
(2R)-4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide is sourced from PubChem (CID 162647791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).