N-[5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-methylphenyl]-4-(1,2,4-triazol-1-yl)butanamide

C22H24N6O2 — CID 172670077

IUPACN-[5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-methylphenyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCc1ccc(C(=O)N2CCc3ncccc3C2)cc1NC(=O)CCCn1cncn1
InChIInChI=1S/C22H24N6O2/c1-16-6-7-17(22(30)27-11-8-19-18(13-27)4-2-9-24-19)12-20(16)26-21(29)5-3-10-28-15-23-14-25-28/h2,4,6-7,9,12,14-15H,3,5,8,10-11,13H2,1H3,(H,26,29)
InChIKeyATKCCTCBNADQBC-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.60
Rot. Bonds6

About N-[5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-methylphenyl]-4-(1,2,4-triazol-1-yl)butanamide

N-[5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-methylphenyl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 172670077) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-methylphenyl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-methylphenyl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID172670077
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-[5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-methylphenyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCc1ccc(C(=O)N2CCc3ncccc3C2)cc1NC(=O)CCCn1cncn1
InChIInChI=1S/C22H24N6O2/c1-16-6-7-17(22(30)27-11-8-19-18(13-27)4-2-9-24-19)12-20(16)26-21(29)5-3-10-28-15-23-14-25-28/h2,4,6-7,9,12,14-15H,3,5,8,10-11,13H2,1H3,(H,26,29)
InChIKeyATKCCTCBNADQBC-UHFFFAOYSA-N
XLogP2.60
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-methylphenyl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-methylphenyl]-4-(1,2,4-triazol-1-yl)butanamide (CID 172670077) is N-[5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-methylphenyl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-methylphenyl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-methylphenyl]-4-(1,2,4-triazol-1-yl)butanamide is Cc1ccc(C(=O)N2CCc3ncccc3C2)cc1NC(=O)CCCn1cncn1.
What is the InChIKey of N-[5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-methylphenyl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is ATKCCTCBNADQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-16-6-7-17(22(30)27-11-8-19-18(13-27)4-2-9-24-19)12-20(16)26-21(29)5-3-10-28-15-23-14-25-28/h2,4,6-7,9,12,14-15H,3,5,8,10-11,13H2,1H3,(H,26,29).
What are the key properties of N-[5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-methylphenyl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-methylphenyl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 404.47 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-methylphenyl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 172670077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).