6-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide

C21H27N7O2 — CID 174200357

IUPAC6-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCCC1=Cc2ncc(CN3CCN(c4ccc(C(=O)NC)nn4)CC3)cc2NC1O
InChIInChI=1S/C21H27N7O2/c1-3-15-11-17-18(24-20(15)29)10-14(12-23-17)13-27-6-8-28(9-7-27)19-5-4-16(25-26-19)21(30)22-2/h4-5,10-12,20,24,29H,3,6-9,13H2,1-2H3,(H,22,30)
InChIKeyBEJQMJPKUXOTQG-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.09
Rot. Bonds5

About 6-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide

6-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide (PubChem CID 174200357) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide
PubChem CID174200357
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC Name6-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCCC1=Cc2ncc(CN3CCN(c4ccc(C(=O)NC)nn4)CC3)cc2NC1O
InChIInChI=1S/C21H27N7O2/c1-3-15-11-17-18(24-20(15)29)10-14(12-23-17)13-27-6-8-28(9-7-27)19-5-4-16(25-26-19)21(30)22-2/h4-5,10-12,20,24,29H,3,6-9,13H2,1-2H3,(H,22,30)
InChIKeyBEJQMJPKUXOTQG-UHFFFAOYSA-N
XLogP1.09
TPSA106.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(3-fluorocyclobutyl)pyridine-2-carboxamide
CID 174199621
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133339123
6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-N-methylpyridazine-3-carboxamide
CID 133329524
3-amino-5-[[4-[6-(methylcarbamoyl)-3-pyridinyl]piperazin-1-yl]methyl]pyridine-2-carboxylic acid
CID 169102595
N-methyl-5-[4-[[(2S)-3-oxo-2-propyl-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189750
N-methyl-6-[4-[[(6S)-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 58324370
N-methyl-5-[4-[(3-oxo-2-propyl-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189640
N-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133339559
6-[4-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N-methylpyridine-3-carboxamide
CID 169189611
5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171812237
N-methyl-5-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189557

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide (CID 174200357) is 6-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide is CCC1=Cc2ncc(CN3CCN(c4ccc(C(=O)NC)nn4)CC3)cc2NC1O.
What is the InChIKey of 6-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
The InChIKey is BEJQMJPKUXOTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-3-15-11-17-18(24-20(15)29)10-14(12-23-17)13-27-6-8-28(9-7-27)19-5-4-16(25-26-19)21(30)22-2/h4-5,10-12,20,24,29H,3,6-9,13H2,1-2H3,(H,22,30).
What are the key properties of 6-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
6-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 174200357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).