N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C26H28F3N5O3 — CID 90456369

IUPACN-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(NC[C@@H](C)O)nc(N2CCOCC2)c1
InChIInChI=1S/C26H28F3N5O3/c1-16-3-4-20(32-25(36)18-5-6-30-22(11-18)26(27,28)29)14-21(16)19-12-23(31-15-17(2)35)33-24(13-19)34-7-9-37-10-8-34/h3-6,11-14,17,35H,7-10,15H2,1-2H3,(H,31,33)(H,32,36)/t17-/m1/s1
InChIKeyQCVNSOAKXBGMJM-QGZVFWFLSA-N
MW515.54 g/mol
LogP4.35
Rot. Bonds7

About N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 90456369) has the molecular formula C26H28F3N5O3 and a molecular weight of 515.54 g/mol. Its IUPAC name is N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID90456369
Molecular FormulaC26H28F3N5O3
Molecular Weight515.54 g/mol
Exact Mass515.21
IUPAC NameN-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(NC[C@@H](C)O)nc(N2CCOCC2)c1
InChIInChI=1S/C26H28F3N5O3/c1-16-3-4-20(32-25(36)18-5-6-30-22(11-18)26(27,28)29)14-21(16)19-12-23(31-15-17(2)35)33-24(13-19)34-7-9-37-10-8-34/h3-6,11-14,17,35H,7-10,15H2,1-2H3,(H,31,33)(H,32,36)/t17-/m1/s1
InChIKeyQCVNSOAKXBGMJM-QGZVFWFLSA-N
XLogP4.35
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.54
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 90456369) is N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(NC[C@@H](C)O)nc(N2CCOCC2)c1.
What is the InChIKey of N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is QCVNSOAKXBGMJM-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H28F3N5O3/c1-16-3-4-20(32-25(36)18-5-6-30-22(11-18)26(27,28)29)14-21(16)19-12-23(31-15-17(2)35)33-24(13-19)34-7-9-37-10-8-34/h3-6,11-14,17,35H,7-10,15H2,1-2H3,(H,31,33)(H,32,36)/t17-/m1/s1.
What are the key properties of N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 515.54 g/mol, XLogP of 4.35, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 90456369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).