6-methoxy-N-methyl-N-[(1R)-1-[(pyridin-3-ylamino)methyl]-2,3-dihydro-1H-inden-5-yl]pyridin-2-amine

C22H24N4O — CID 122688157

IUPAC6-methoxy-N-methyl-N-[(1R)-1-[(pyridin-3-ylamino)methyl]-2,3-dihydro-1H-inden-5-yl]pyridin-2-amine
SMILESCOc1cccc(N(C)c2ccc3c(c2)CC[C@H]3CNc2cccnc2)n1
InChIInChI=1S/C22H24N4O/c1-26(21-6-3-7-22(25-21)27-2)19-10-11-20-16(13-19)8-9-17(20)14-24-18-5-4-12-23-15-18/h3-7,10-13,15,17,24H,8-9,14H2,1-2H3/t17-/m0/s1
InChIKeyZHJTYPVFHPMMMQ-KRWDZBQOSA-N
MW360.46 g/mol
LogP4.39
Rot. Bonds6

About 6-methoxy-N-methyl-N-[(1R)-1-[(pyridin-3-ylamino)methyl]-2,3-dihydro-1H-inden-5-yl]pyridin-2-amine

6-methoxy-N-methyl-N-[(1R)-1-[(pyridin-3-ylamino)methyl]-2,3-dihydro-1H-inden-5-yl]pyridin-2-amine (PubChem CID 122688157) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-methoxy-N-methyl-N-[(1R)-1-[(pyridin-3-ylamino)methyl]-2,3-dihydro-1H-inden-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-N-[(1R)-1-[(pyridin-3-ylamino)methyl]-2,3-dihydro-1H-inden-5-yl]pyridin-2-amine
PubChem CID122688157
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name6-methoxy-N-methyl-N-[(1R)-1-[(pyridin-3-ylamino)methyl]-2,3-dihydro-1H-inden-5-yl]pyridin-2-amine
SMILESCOc1cccc(N(C)c2ccc3c(c2)CC[C@H]3CNc2cccnc2)n1
InChIInChI=1S/C22H24N4O/c1-26(21-6-3-7-22(25-21)27-2)19-10-11-20-16(13-19)8-9-17(20)14-24-18-5-4-12-23-15-18/h3-7,10-13,15,17,24H,8-9,14H2,1-2H3/t17-/m0/s1
InChIKeyZHJTYPVFHPMMMQ-KRWDZBQOSA-N
XLogP4.39
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-N-[(1R)-1-[(pyridin-3-ylamino)methyl]-2,3-dihydro-1H-inden-5-yl]pyridin-2-amine?
The IUPAC name of 6-methoxy-N-methyl-N-[(1R)-1-[(pyridin-3-ylamino)methyl]-2,3-dihydro-1H-inden-5-yl]pyridin-2-amine (CID 122688157) is 6-methoxy-N-methyl-N-[(1R)-1-[(pyridin-3-ylamino)methyl]-2,3-dihydro-1H-inden-5-yl]pyridin-2-amine.
What is the SMILES notation for 6-methoxy-N-methyl-N-[(1R)-1-[(pyridin-3-ylamino)methyl]-2,3-dihydro-1H-inden-5-yl]pyridin-2-amine?
The canonical SMILES for 6-methoxy-N-methyl-N-[(1R)-1-[(pyridin-3-ylamino)methyl]-2,3-dihydro-1H-inden-5-yl]pyridin-2-amine is COc1cccc(N(C)c2ccc3c(c2)CC[C@H]3CNc2cccnc2)n1.
What is the InChIKey of 6-methoxy-N-methyl-N-[(1R)-1-[(pyridin-3-ylamino)methyl]-2,3-dihydro-1H-inden-5-yl]pyridin-2-amine?
The InChIKey is ZHJTYPVFHPMMMQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N4O/c1-26(21-6-3-7-22(25-21)27-2)19-10-11-20-16(13-19)8-9-17(20)14-24-18-5-4-12-23-15-18/h3-7,10-13,15,17,24H,8-9,14H2,1-2H3/t17-/m0/s1.
What are the key properties of 6-methoxy-N-methyl-N-[(1R)-1-[(pyridin-3-ylamino)methyl]-2,3-dihydro-1H-inden-5-yl]pyridin-2-amine?
6-methoxy-N-methyl-N-[(1R)-1-[(pyridin-3-ylamino)methyl]-2,3-dihydro-1H-inden-5-yl]pyridin-2-amine has a molecular weight of 360.46 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-N-[(1R)-1-[(pyridin-3-ylamino)methyl]-2,3-dihydro-1H-inden-5-yl]pyridin-2-amine is sourced from PubChem (CID 122688157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).