[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methyl carbamate

C21H24N6O3 — CID 122179617

IUPAC[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methyl carbamate
SMILESCc1cc2c(-c3cncc(COC(N)=O)c3)cnc(NC3CCNCC3)c2[nH]c1=O
InChIInChI=1S/C21H24N6O3/c1-12-6-16-17(14-7-13(8-24-9-14)11-30-21(22)29)10-25-19(18(16)27-20(12)28)26-15-2-4-23-5-3-15/h6-10,15,23H,2-5,11H2,1H3,(H2,22,29)(H,25,26)(H,27,28)
InChIKeyMUEIFQPTBPDFDJ-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.05
Rot. Bonds5

About [5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methyl carbamate

[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methyl carbamate (PubChem CID 122179617) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is [5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methyl carbamate.

Molecular Properties

Compound Name[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methyl carbamate
PubChem CID122179617
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methyl carbamate
SMILESCc1cc2c(-c3cncc(COC(N)=O)c3)cnc(NC3CCNCC3)c2[nH]c1=O
InChIInChI=1S/C21H24N6O3/c1-12-6-16-17(14-7-13(8-24-9-14)11-30-21(22)29)10-25-19(18(16)27-20(12)28)26-15-2-4-23-5-3-15/h6-10,15,23H,2-5,11H2,1H3,(H2,22,29)(H,25,26)(H,27,28)
InChIKeyMUEIFQPTBPDFDJ-UHFFFAOYSA-N
XLogP2.05
TPSA135.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methyl carbamate?
The IUPAC name of [5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methyl carbamate (CID 122179617) is [5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methyl carbamate.
What is the SMILES notation for [5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methyl carbamate?
The canonical SMILES for [5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methyl carbamate is Cc1cc2c(-c3cncc(COC(N)=O)c3)cnc(NC3CCNCC3)c2[nH]c1=O.
What is the InChIKey of [5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methyl carbamate?
The InChIKey is MUEIFQPTBPDFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-12-6-16-17(14-7-13(8-24-9-14)11-30-21(22)29)10-25-19(18(16)27-20(12)28)26-15-2-4-23-5-3-15/h6-10,15,23H,2-5,11H2,1H3,(H2,22,29)(H,25,26)(H,27,28).
What are the key properties of [5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methyl carbamate?
[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methyl carbamate has a molecular weight of 408.46 g/mol, XLogP of 2.05, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methyl carbamate is sourced from PubChem (CID 122179617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).