4-amino-N-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide

C20H16F3N5O3 — CID 164867031

IUPAC4-amino-N-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
SMILESCN(C(=O)c1cc2c3c(c(N)nc2cn1)COC3)[C@@H]1COc2cc(C(F)(F)F)ncc21
InChIInChI=1S/C20H16F3N5O3/c1-28(15-8-31-16-3-17(20(21,22)23)26-4-10(15)16)19(29)13-2-9-11-6-30-7-12(11)18(24)27-14(9)5-25-13/h2-5,15H,6-8H2,1H3,(H2,24,27)/t15-/m1/s1
InChIKeyTURMNLKYQCYYSR-OAHLLOKOSA-N
MW431.37 g/mol
LogP2.86
Rot. Bonds2

About 4-amino-N-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide

4-amino-N-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide (PubChem CID 164867031) has the molecular formula C20H16F3N5O3 and a molecular weight of 431.37 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
PubChem CID164867031
Molecular FormulaC20H16F3N5O3
Molecular Weight431.37 g/mol
Exact Mass431.12
IUPAC Name4-amino-N-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
SMILESCN(C(=O)c1cc2c3c(c(N)nc2cn1)COC3)[C@@H]1COc2cc(C(F)(F)F)ncc21
InChIInChI=1S/C20H16F3N5O3/c1-28(15-8-31-16-3-17(20(21,22)23)26-4-10(15)16)19(29)13-2-9-11-6-30-7-12(11)18(24)27-14(9)5-25-13/h2-5,15H,6-8H2,1H3,(H2,24,27)/t15-/m1/s1
InChIKeyTURMNLKYQCYYSR-OAHLLOKOSA-N
XLogP2.86
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide (CID 164867031) is 4-amino-N-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide is CN(C(=O)c1cc2c3c(c(N)nc2cn1)COC3)[C@@H]1COc2cc(C(F)(F)F)ncc21.
What is the InChIKey of 4-amino-N-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
The InChIKey is TURMNLKYQCYYSR-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H16F3N5O3/c1-28(15-8-31-16-3-17(20(21,22)23)26-4-10(15)16)19(29)13-2-9-11-6-30-7-12(11)18(24)27-14(9)5-25-13/h2-5,15H,6-8H2,1H3,(H2,24,27)/t15-/m1/s1.
What are the key properties of 4-amino-N-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
4-amino-N-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide has a molecular weight of 431.37 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide is sourced from PubChem (CID 164867031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).