6-[5-[2-[methyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C22H27N5O3 — CID 86305425

IUPAC6-[5-[2-[methyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCN(CC1CCOC1)C(=O)Cc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C22H27N5O3/c1-26(13-15-4-6-30-14-15)20(28)8-16-7-18(11-24-10-16)19-9-17-3-2-5-27(22(23)29)21(17)25-12-19/h7,9-12,15H,2-6,8,13-14H2,1H3,(H2,23,29)
InChIKeyFTLGOUHOPZZWES-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.01
Rot. Bonds5

About 6-[5-[2-[methyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[5-[2-[methyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305425) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-[5-[2-[methyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-[2-[methyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305425
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name6-[5-[2-[methyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCN(CC1CCOC1)C(=O)Cc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C22H27N5O3/c1-26(13-15-4-6-30-14-15)20(28)8-16-7-18(11-24-10-16)19-9-17-3-2-5-27(22(23)29)21(17)25-12-19/h7,9-12,15H,2-6,8,13-14H2,1H3,(H2,23,29)
InChIKeyFTLGOUHOPZZWES-UHFFFAOYSA-N
XLogP2.01
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-[methyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-[2-[methyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305425) is 6-[5-[2-[methyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-[2-[methyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-[2-[methyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CN(CC1CCOC1)C(=O)Cc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.
What is the InChIKey of 6-[5-[2-[methyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is FTLGOUHOPZZWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-26(13-15-4-6-30-14-15)20(28)8-16-7-18(11-24-10-16)19-9-17-3-2-5-27(22(23)29)21(17)25-12-19/h7,9-12,15H,2-6,8,13-14H2,1H3,(H2,23,29).
What are the key properties of 6-[5-[2-[methyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-[2-[methyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-[methyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).