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

C20H24N6O3S — CID 122179616

IUPACN-[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methanesulfonamide
SMILESCc1cc2c(-c3cncc(NS(C)(=O)=O)c3)cnc(NC3CCNCC3)c2[nH]c1=O
InChIInChI=1S/C20H24N6O3S/c1-12-7-16-17(13-8-15(10-22-9-13)26-30(2,28)29)11-23-19(18(16)25-20(12)27)24-14-3-5-21-6-4-14/h7-11,14,21,26H,3-6H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyBUBIAKKEMGHXTA-UHFFFAOYSA-N
MW428.52 g/mol
LogP1.83
Rot. Bonds5

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

N-[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 122179616) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methanesulfonamide
PubChem CID122179616
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC NameN-[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methanesulfonamide
SMILESCc1cc2c(-c3cncc(NS(C)(=O)=O)c3)cnc(NC3CCNCC3)c2[nH]c1=O
InChIInChI=1S/C20H24N6O3S/c1-12-7-16-17(13-8-15(10-22-9-13)26-30(2,28)29)11-23-19(18(16)25-20(12)27)24-14-3-5-21-6-4-14/h7-11,14,21,26H,3-6H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyBUBIAKKEMGHXTA-UHFFFAOYSA-N
XLogP1.83
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methanesulfonamide (CID 122179616) is N-[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methanesulfonamide is Cc1cc2c(-c3cncc(NS(C)(=O)=O)c3)cnc(NC3CCNCC3)c2[nH]c1=O.
What is the InChIKey of N-[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is BUBIAKKEMGHXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-12-7-16-17(13-8-15(10-22-9-13)26-30(2,28)29)11-23-19(18(16)25-20(12)27)24-14-3-5-21-6-4-14/h7-11,14,21,26H,3-6H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methanesulfonamide?
N-[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 428.52 g/mol, XLogP of 1.83, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122179616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).