(3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C27H29N5O3 — CID 163382636

IUPAC(3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESC[C@H](C1CCOCC1)N(Cc1ccc(C#N)cn1)C(=O)c1ccc2nc(N)c3c(c2c1)CO[C@@H]3C
InChIInChI=1S/C27H29N5O3/c1-16(19-7-9-34-10-8-19)32(14-21-5-3-18(12-28)13-30-21)27(33)20-4-6-24-22(11-20)23-15-35-17(2)25(23)26(29)31-24/h3-6,11,13,16-17,19H,7-10,14-15H2,1-2H3,(H2,29,31)/t16-,17-/m1/s1
InChIKeyGMYAEJQZOCDREY-IAGOWNOFSA-N
MW471.56 g/mol
LogP4.13
Rot. Bonds5

About (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

(3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 163382636) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name(3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID163382636
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name(3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESC[C@H](C1CCOCC1)N(Cc1ccc(C#N)cn1)C(=O)c1ccc2nc(N)c3c(c2c1)CO[C@@H]3C
InChIInChI=1S/C27H29N5O3/c1-16(19-7-9-34-10-8-19)32(14-21-5-3-18(12-28)13-30-21)27(33)20-4-6-24-22(11-20)23-15-35-17(2)25(23)26(29)31-24/h3-6,11,13,16-17,19H,7-10,14-15H2,1-2H3,(H2,29,31)/t16-,17-/m1/s1
InChIKeyGMYAEJQZOCDREY-IAGOWNOFSA-N
XLogP4.13
TPSA114.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 163382636) is (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is C[C@H](C1CCOCC1)N(Cc1ccc(C#N)cn1)C(=O)c1ccc2nc(N)c3c(c2c1)CO[C@@H]3C.
What is the InChIKey of (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is GMYAEJQZOCDREY-IAGOWNOFSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-16(19-7-9-34-10-8-19)32(14-21-5-3-18(12-28)13-30-21)27(33)20-4-6-24-22(11-20)23-15-35-17(2)25(23)26(29)31-24/h3-6,11,13,16-17,19H,7-10,14-15H2,1-2H3,(H2,29,31)/t16-,17-/m1/s1.
What are the key properties of (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
(3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 163382636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).