2-methoxy-N,N-dimethyl-5-[(3S)-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]-3,4-dihydro-2H-chromen-5-yl]pyridine-3-carboxamide

C26H25F3N4O5 — CID 66813554

IUPAC2-methoxy-N,N-dimethyl-5-[(3S)-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]-3,4-dihydro-2H-chromen-5-yl]pyridine-3-carboxamide
SMILESCOc1ncc(-c2cccc3c2C[C@H](NC(=O)c2ccc(OCC(F)(F)F)nc2)CO3)cc1C(=O)N(C)C
InChIInChI=1S/C26H25F3N4O5/c1-33(2)25(35)20-9-16(12-31-24(20)36-3)18-5-4-6-21-19(18)10-17(13-37-21)32-23(34)15-7-8-22(30-11-15)38-14-26(27,28)29/h4-9,11-12,17H,10,13-14H2,1-3H3,(H,32,34)/t17-/m0/s1
InChIKeyQRLFIYONIBJTKV-KRWDZBQOSA-N
MW530.50 g/mol
LogP3.53
Rot. Bonds7

About 2-methoxy-N,N-dimethyl-5-[(3S)-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]-3,4-dihydro-2H-chromen-5-yl]pyridine-3-carboxamide

2-methoxy-N,N-dimethyl-5-[(3S)-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]-3,4-dihydro-2H-chromen-5-yl]pyridine-3-carboxamide (PubChem CID 66813554) has the molecular formula C26H25F3N4O5 and a molecular weight of 530.50 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethyl-5-[(3S)-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]-3,4-dihydro-2H-chromen-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N,N-dimethyl-5-[(3S)-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]-3,4-dihydro-2H-chromen-5-yl]pyridine-3-carboxamide
PubChem CID66813554
Molecular FormulaC26H25F3N4O5
Molecular Weight530.50 g/mol
Exact Mass530.18
IUPAC Name2-methoxy-N,N-dimethyl-5-[(3S)-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]-3,4-dihydro-2H-chromen-5-yl]pyridine-3-carboxamide
SMILESCOc1ncc(-c2cccc3c2C[C@H](NC(=O)c2ccc(OCC(F)(F)F)nc2)CO3)cc1C(=O)N(C)C
InChIInChI=1S/C26H25F3N4O5/c1-33(2)25(35)20-9-16(12-31-24(20)36-3)18-5-4-6-21-19(18)10-17(13-37-21)32-23(34)15-7-8-22(30-11-15)38-14-26(27,28)29/h4-9,11-12,17H,10,13-14H2,1-3H3,(H,32,34)/t17-/m0/s1
InChIKeyQRLFIYONIBJTKV-KRWDZBQOSA-N
XLogP3.53
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-N,N-dimethyl-5-[(3S)-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]-3,4-dihydro-2H-chromen-5-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dimethyl-5-[(3S)-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]-3,4-dihydro-2H-chromen-5-yl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N,N-dimethyl-5-[(3S)-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]-3,4-dihydro-2H-chromen-5-yl]pyridine-3-carboxamide (CID 66813554) is 2-methoxy-N,N-dimethyl-5-[(3S)-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]-3,4-dihydro-2H-chromen-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N,N-dimethyl-5-[(3S)-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]-3,4-dihydro-2H-chromen-5-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N,N-dimethyl-5-[(3S)-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]-3,4-dihydro-2H-chromen-5-yl]pyridine-3-carboxamide is COc1ncc(-c2cccc3c2C[C@H](NC(=O)c2ccc(OCC(F)(F)F)nc2)CO3)cc1C(=O)N(C)C.
What is the InChIKey of 2-methoxy-N,N-dimethyl-5-[(3S)-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]-3,4-dihydro-2H-chromen-5-yl]pyridine-3-carboxamide?
The InChIKey is QRLFIYONIBJTKV-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H25F3N4O5/c1-33(2)25(35)20-9-16(12-31-24(20)36-3)18-5-4-6-21-19(18)10-17(13-37-21)32-23(34)15-7-8-22(30-11-15)38-14-26(27,28)29/h4-9,11-12,17H,10,13-14H2,1-3H3,(H,32,34)/t17-/m0/s1.
What are the key properties of 2-methoxy-N,N-dimethyl-5-[(3S)-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]-3,4-dihydro-2H-chromen-5-yl]pyridine-3-carboxamide?
2-methoxy-N,N-dimethyl-5-[(3S)-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]-3,4-dihydro-2H-chromen-5-yl]pyridine-3-carboxamide has a molecular weight of 530.50 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dimethyl-5-[(3S)-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]-3,4-dihydro-2H-chromen-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 66813554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).