4-(aminomethyl)-N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide

C24H29N5O2 — CID 110154607

IUPAC4-(aminomethyl)-N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
SMILESCc1cc(N2CCC(O)(CN(C)C(=O)c3ccc(CN)cc3)CC2)c2cnccc2n1
InChIInChI=1S/C24H29N5O2/c1-17-13-22(20-15-26-10-7-21(20)27-17)29-11-8-24(31,9-12-29)16-28(2)23(30)19-5-3-18(14-25)4-6-19/h3-7,10,13,15,31H,8-9,11-12,14,16,25H2,1-2H3
InChIKeySYSPBBCNFSZCBC-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.50
Rot. Bonds5

About 4-(aminomethyl)-N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide

4-(aminomethyl)-N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide (PubChem CID 110154607) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
PubChem CID110154607
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name4-(aminomethyl)-N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
SMILESCc1cc(N2CCC(O)(CN(C)C(=O)c3ccc(CN)cc3)CC2)c2cnccc2n1
InChIInChI=1S/C24H29N5O2/c1-17-13-22(20-15-26-10-7-21(20)27-17)29-11-8-24(31,9-12-29)16-28(2)23(30)19-5-3-18(14-25)4-6-19/h3-7,10,13,15,31H,8-9,11-12,14,16,25H2,1-2H3
InChIKeySYSPBBCNFSZCBC-UHFFFAOYSA-N
XLogP2.50
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.50
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-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide (CID 110154607) is 4-(aminomethyl)-N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide is Cc1cc(N2CCC(O)(CN(C)C(=O)c3ccc(CN)cc3)CC2)c2cnccc2n1.
What is the InChIKey of 4-(aminomethyl)-N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide?
The InChIKey is SYSPBBCNFSZCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-17-13-22(20-15-26-10-7-21(20)27-17)29-11-8-24(31,9-12-29)16-28(2)23(30)19-5-3-18(14-25)4-6-19/h3-7,10,13,15,31H,8-9,11-12,14,16,25H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide?
4-(aminomethyl)-N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide has a molecular weight of 419.53 g/mol, XLogP of 2.50, 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-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 110154607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).