N-(1-acetylpiperidin-4-yl)-2-amino-N-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

C20H31N5O3 — CID 92620856

IUPACN-(1-acetylpiperidin-4-yl)-2-amino-N-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCOCCN(C(=O)c1cc2c(nc1N)CCN(C)C2)C1CCN(C(C)=O)CC1
InChIInChI=1S/C20H31N5O3/c1-14(26)24-8-4-16(5-9-24)25(10-11-28-3)20(27)17-12-15-13-23(2)7-6-18(15)22-19(17)21/h12,16H,4-11,13H2,1-3H3,(H2,21,22)
InChIKeyBKKAKLXDFIGQQY-UHFFFAOYSA-N
MW389.50 g/mol
LogP0.75
Rot. Bonds5

About N-(1-acetylpiperidin-4-yl)-2-amino-N-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

N-(1-acetylpiperidin-4-yl)-2-amino-N-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (PubChem CID 92620856) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-amino-N-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-amino-N-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
PubChem CID92620856
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-amino-N-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCOCCN(C(=O)c1cc2c(nc1N)CCN(C)C2)C1CCN(C(C)=O)CC1
InChIInChI=1S/C20H31N5O3/c1-14(26)24-8-4-16(5-9-24)25(10-11-28-3)20(27)17-12-15-13-23(2)7-6-18(15)22-19(17)21/h12,16H,4-11,13H2,1-3H3,(H2,21,22)
InChIKeyBKKAKLXDFIGQQY-UHFFFAOYSA-N
XLogP0.75
TPSA92.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-amino-N-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-amino-N-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (CID 92620856) is N-(1-acetylpiperidin-4-yl)-2-amino-N-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-amino-N-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-amino-N-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is COCCN(C(=O)c1cc2c(nc1N)CCN(C)C2)C1CCN(C(C)=O)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-amino-N-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The InChIKey is BKKAKLXDFIGQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-14(26)24-8-4-16(5-9-24)25(10-11-28-3)20(27)17-12-15-13-23(2)7-6-18(15)22-19(17)21/h12,16H,4-11,13H2,1-3H3,(H2,21,22).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-amino-N-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
N-(1-acetylpiperidin-4-yl)-2-amino-N-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-amino-N-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 92620856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).