N-[6-carbamoyl-4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-2-pyridinyl]morpholine-4-carboxamide

C26H28F5N5O6 — CID 176860477

IUPACN-[6-carbamoyl-4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-2-pyridinyl]morpholine-4-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3cc(NC(=O)N4CCOCC4)nc(C(N)=O)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C26H28F5N5O6/c1-12-18(14-4-5-15(27)19(28)20(14)40-3)21(42-25(12,2)26(29,30)31)23(38)33-13-10-16(22(32)37)34-17(11-13)35-24(39)36-6-8-41-9-7-36/h4-5,10-12,18,21H,6-9H2,1-3H3,(H2,32,37)(H2,33,34,35,38,39)/t12-,18-,21+,25+/m0/s1
InChIKeyQNNSIROLOKLCID-OMEGRREJSA-N
MW601.53 g/mol
LogP3.41
Rot. Bonds6

About N-[6-carbamoyl-4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-2-pyridinyl]morpholine-4-carboxamide

N-[6-carbamoyl-4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-2-pyridinyl]morpholine-4-carboxamide (PubChem CID 176860477) has the molecular formula C26H28F5N5O6 and a molecular weight of 601.53 g/mol. Its IUPAC name is N-[6-carbamoyl-4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-2-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[6-carbamoyl-4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-2-pyridinyl]morpholine-4-carboxamide
PubChem CID176860477
Molecular FormulaC26H28F5N5O6
Molecular Weight601.53 g/mol
Exact Mass601.20
IUPAC NameN-[6-carbamoyl-4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-2-pyridinyl]morpholine-4-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3cc(NC(=O)N4CCOCC4)nc(C(N)=O)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C26H28F5N5O6/c1-12-18(14-4-5-15(27)19(28)20(14)40-3)21(42-25(12,2)26(29,30)31)23(38)33-13-10-16(22(32)37)34-17(11-13)35-24(39)36-6-8-41-9-7-36/h4-5,10-12,18,21H,6-9H2,1-3H3,(H2,32,37)(H2,33,34,35,38,39)/t12-,18-,21+,25+/m0/s1
InChIKeyQNNSIROLOKLCID-OMEGRREJSA-N
XLogP3.41
TPSA145.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.53
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[6-carbamoyl-4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-2-pyridinyl]morpholine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-carbamoyl-4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-2-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of N-[6-carbamoyl-4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-2-pyridinyl]morpholine-4-carboxamide (CID 176860477) is N-[6-carbamoyl-4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-2-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[6-carbamoyl-4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-2-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for N-[6-carbamoyl-4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-2-pyridinyl]morpholine-4-carboxamide is COc1c([C@H]2[C@H](C(=O)Nc3cc(NC(=O)N4CCOCC4)nc(C(N)=O)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F.
What is the InChIKey of N-[6-carbamoyl-4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-2-pyridinyl]morpholine-4-carboxamide?
The InChIKey is QNNSIROLOKLCID-OMEGRREJSA-N. The full InChI is InChI=1S/C26H28F5N5O6/c1-12-18(14-4-5-15(27)19(28)20(14)40-3)21(42-25(12,2)26(29,30)31)23(38)33-13-10-16(22(32)37)34-17(11-13)35-24(39)36-6-8-41-9-7-36/h4-5,10-12,18,21H,6-9H2,1-3H3,(H2,32,37)(H2,33,34,35,38,39)/t12-,18-,21+,25+/m0/s1.
What are the key properties of N-[6-carbamoyl-4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-2-pyridinyl]morpholine-4-carboxamide?
N-[6-carbamoyl-4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-2-pyridinyl]morpholine-4-carboxamide has a molecular weight of 601.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-carbamoyl-4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-2-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 176860477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).