7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine

C24H29N5O2 — CID 58398163

IUPAC7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine
SMILESCOc1cc(-c2cc3ncccc3c(NC[C@@H]3CCNC3)n2)ccc1N1CCOCC1
InChIInChI=1S/C24H29N5O2/c1-30-23-13-18(4-5-22(23)29-9-11-31-12-10-29)20-14-21-19(3-2-7-26-21)24(28-20)27-16-17-6-8-25-15-17/h2-5,7,13-14,17,25H,6,8-12,15-16H2,1H3,(H,27,28)/t17-/m1/s1
InChIKeyVHIODPSKKPLFGP-QGZVFWFLSA-N
MW419.53 g/mol
LogP3.16
Rot. Bonds6

About 7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine

7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine (PubChem CID 58398163) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine.

Molecular Properties

Compound Name7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine
PubChem CID58398163
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine
SMILESCOc1cc(-c2cc3ncccc3c(NC[C@@H]3CCNC3)n2)ccc1N1CCOCC1
InChIInChI=1S/C24H29N5O2/c1-30-23-13-18(4-5-22(23)29-9-11-31-12-10-29)20-14-21-19(3-2-7-26-21)24(28-20)27-16-17-6-8-25-15-17/h2-5,7,13-14,17,25H,6,8-12,15-16H2,1H3,(H,27,28)/t17-/m1/s1
InChIKeyVHIODPSKKPLFGP-QGZVFWFLSA-N
XLogP3.16
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine?
The IUPAC name of 7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine (CID 58398163) is 7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine.
What is the SMILES notation for 7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine?
The canonical SMILES for 7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine is COc1cc(-c2cc3ncccc3c(NC[C@@H]3CCNC3)n2)ccc1N1CCOCC1.
What is the InChIKey of 7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine?
The InChIKey is VHIODPSKKPLFGP-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-30-23-13-18(4-5-22(23)29-9-11-31-12-10-29)20-14-21-19(3-2-7-26-21)24(28-20)27-16-17-6-8-25-15-17/h2-5,7,13-14,17,25H,6,8-12,15-16H2,1H3,(H,27,28)/t17-/m1/s1.
What are the key properties of 7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine?
7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine has a molecular weight of 419.53 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine is sourced from PubChem (CID 58398163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).