methyl 3-[[(4R)-7-[methyl-(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate

C24H26N4O3 — CID 118598005

IUPACmethyl 3-[[(4R)-7-[methyl-(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1NC[C@@H]1CCOc2cc(N(C)c3cccc(C)n3)ccc21
InChIInChI=1S/C24H26N4O3/c1-16-5-4-6-23(27-16)28(2)18-7-8-19-17(10-12-31-22(19)13-18)14-26-21-15-25-11-9-20(21)24(29)30-3/h4-9,11,13,15,17,26H,10,12,14H2,1-3H3/t17-/m0/s1
InChIKeyQNOKAEFAKYNQEL-KRWDZBQOSA-N
MW418.50 g/mol
LogP4.32
Rot. Bonds6

About methyl 3-[[(4R)-7-[methyl-(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate

methyl 3-[[(4R)-7-[methyl-(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate (PubChem CID 118598005) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is methyl 3-[[(4R)-7-[methyl-(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(4R)-7-[methyl-(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate
PubChem CID118598005
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Namemethyl 3-[[(4R)-7-[methyl-(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1NC[C@@H]1CCOc2cc(N(C)c3cccc(C)n3)ccc21
InChIInChI=1S/C24H26N4O3/c1-16-5-4-6-23(27-16)28(2)18-7-8-19-17(10-12-31-22(19)13-18)14-26-21-15-25-11-9-20(21)24(29)30-3/h4-9,11,13,15,17,26H,10,12,14H2,1-3H3/t17-/m0/s1
InChIKeyQNOKAEFAKYNQEL-KRWDZBQOSA-N
XLogP4.32
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(4R)-7-[methyl-(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[[(4R)-7-[methyl-(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate (CID 118598005) is methyl 3-[[(4R)-7-[methyl-(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[[(4R)-7-[methyl-(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[[(4R)-7-[methyl-(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate is COC(=O)c1ccncc1NC[C@@H]1CCOc2cc(N(C)c3cccc(C)n3)ccc21.
What is the InChIKey of methyl 3-[[(4R)-7-[methyl-(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate?
The InChIKey is QNOKAEFAKYNQEL-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16-5-4-6-23(27-16)28(2)18-7-8-19-17(10-12-31-22(19)13-18)14-26-21-15-25-11-9-20(21)24(29)30-3/h4-9,11,13,15,17,26H,10,12,14H2,1-3H3/t17-/m0/s1.
What are the key properties of methyl 3-[[(4R)-7-[methyl-(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate?
methyl 3-[[(4R)-7-[methyl-(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate has a molecular weight of 418.50 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(4R)-7-[methyl-(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate is sourced from PubChem (CID 118598005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).