4-(aminomethyl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide

C23H27N5O2 — CID 110153954

IUPAC4-(aminomethyl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
SMILESCN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C23H27N5O2/c1-27(22(29)18-4-2-17(14-24)3-5-18)16-23(30)8-12-28(13-9-23)21-7-11-26-20-6-10-25-15-19(20)21/h2-7,10-11,15,30H,8-9,12-14,16,24H2,1H3
InChIKeyWIULQKJQLULMRX-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.19
Rot. Bonds5

About 4-(aminomethyl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide

4-(aminomethyl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide (PubChem CID 110153954) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
PubChem CID110153954
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name4-(aminomethyl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
SMILESCN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C23H27N5O2/c1-27(22(29)18-4-2-17(14-24)3-5-18)16-23(30)8-12-28(13-9-23)21-7-11-26-20-6-10-25-15-19(20)21/h2-7,10-11,15,30H,8-9,12-14,16,24H2,1H3
InChIKeyWIULQKJQLULMRX-UHFFFAOYSA-N
XLogP2.19
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide (CID 110153954) is 4-(aminomethyl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide is CN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide?
The InChIKey is WIULQKJQLULMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-27(22(29)18-4-2-17(14-24)3-5-18)16-23(30)8-12-28(13-9-23)21-7-11-26-20-6-10-25-15-19(20)21/h2-7,10-11,15,30H,8-9,12-14,16,24H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide?
4-(aminomethyl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide has a molecular weight of 405.50 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 110153954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).