4-methyl-6-[[(3R,4R)-4-[6-(pyridin-2-ylamino)naphthalen-1-yl]oxypyrrolidin-3-yl]methyl]pyridin-2-amine

C26H27N5O — CID 66576832

IUPAC4-methyl-6-[[(3R,4R)-4-[6-(pyridin-2-ylamino)naphthalen-1-yl]oxypyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCc1cc(N)nc(C[C@@H]2CNC[C@@H]2Oc2cccc3cc(Nc4ccccn4)ccc23)c1
InChIInChI=1S/C26H27N5O/c1-17-11-21(30-25(27)12-17)14-19-15-28-16-24(19)32-23-6-4-5-18-13-20(8-9-22(18)23)31-26-7-2-3-10-29-26/h2-13,19,24,28H,14-16H2,1H3,(H2,27,30)(H,29,31)/t19-,24+/m1/s1
InChIKeyQRKISXOOAXXAKN-DVECYGJZSA-N
MW425.54 g/mol
LogP4.47
Rot. Bonds6

About 4-methyl-6-[[(3R,4R)-4-[6-(pyridin-2-ylamino)naphthalen-1-yl]oxypyrrolidin-3-yl]methyl]pyridin-2-amine

4-methyl-6-[[(3R,4R)-4-[6-(pyridin-2-ylamino)naphthalen-1-yl]oxypyrrolidin-3-yl]methyl]pyridin-2-amine (PubChem CID 66576832) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 4-methyl-6-[[(3R,4R)-4-[6-(pyridin-2-ylamino)naphthalen-1-yl]oxypyrrolidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[[(3R,4R)-4-[6-(pyridin-2-ylamino)naphthalen-1-yl]oxypyrrolidin-3-yl]methyl]pyridin-2-amine
PubChem CID66576832
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name4-methyl-6-[[(3R,4R)-4-[6-(pyridin-2-ylamino)naphthalen-1-yl]oxypyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCc1cc(N)nc(C[C@@H]2CNC[C@@H]2Oc2cccc3cc(Nc4ccccn4)ccc23)c1
InChIInChI=1S/C26H27N5O/c1-17-11-21(30-25(27)12-17)14-19-15-28-16-24(19)32-23-6-4-5-18-13-20(8-9-22(18)23)31-26-7-2-3-10-29-26/h2-13,19,24,28H,14-16H2,1H3,(H2,27,30)(H,29,31)/t19-,24+/m1/s1
InChIKeyQRKISXOOAXXAKN-DVECYGJZSA-N
XLogP4.47
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[[(3R,4R)-4-[6-(pyridin-2-ylamino)naphthalen-1-yl]oxypyrrolidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 4-methyl-6-[[(3R,4R)-4-[6-(pyridin-2-ylamino)naphthalen-1-yl]oxypyrrolidin-3-yl]methyl]pyridin-2-amine (CID 66576832) is 4-methyl-6-[[(3R,4R)-4-[6-(pyridin-2-ylamino)naphthalen-1-yl]oxypyrrolidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-6-[[(3R,4R)-4-[6-(pyridin-2-ylamino)naphthalen-1-yl]oxypyrrolidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-6-[[(3R,4R)-4-[6-(pyridin-2-ylamino)naphthalen-1-yl]oxypyrrolidin-3-yl]methyl]pyridin-2-amine is Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2Oc2cccc3cc(Nc4ccccn4)ccc23)c1.
What is the InChIKey of 4-methyl-6-[[(3R,4R)-4-[6-(pyridin-2-ylamino)naphthalen-1-yl]oxypyrrolidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is QRKISXOOAXXAKN-DVECYGJZSA-N. The full InChI is InChI=1S/C26H27N5O/c1-17-11-21(30-25(27)12-17)14-19-15-28-16-24(19)32-23-6-4-5-18-13-20(8-9-22(18)23)31-26-7-2-3-10-29-26/h2-13,19,24,28H,14-16H2,1H3,(H2,27,30)(H,29,31)/t19-,24+/m1/s1.
What are the key properties of 4-methyl-6-[[(3R,4R)-4-[6-(pyridin-2-ylamino)naphthalen-1-yl]oxypyrrolidin-3-yl]methyl]pyridin-2-amine?
4-methyl-6-[[(3R,4R)-4-[6-(pyridin-2-ylamino)naphthalen-1-yl]oxypyrrolidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 425.54 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[[(3R,4R)-4-[6-(pyridin-2-ylamino)naphthalen-1-yl]oxypyrrolidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 66576832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).