N-(3-hydroxypropyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide

C19H22N6O2 — CID 90288877

IUPACN-(3-hydroxypropyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=O)NCCCO)cc3n2)c1
InChIInChI=1S/C19H22N6O2/c1-12(2)13-9-18(25-22-11-13)24-17-5-4-15-16(23-17)8-14(10-21-15)19(27)20-6-3-7-26/h4-5,8-12,26H,3,6-7H2,1-2H3,(H,20,27)(H,23,24,25)
InChIKeyGYMIKFWOLNVSHU-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.40
Rot. Bonds7

About N-(3-hydroxypropyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide

N-(3-hydroxypropyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide (PubChem CID 90288877) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide
PubChem CID90288877
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-(3-hydroxypropyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=O)NCCCO)cc3n2)c1
InChIInChI=1S/C19H22N6O2/c1-12(2)13-9-18(25-22-11-13)24-17-5-4-15-16(23-17)8-14(10-21-15)19(27)20-6-3-7-26/h4-5,8-12,26H,3,6-7H2,1-2H3,(H,20,27)(H,23,24,25)
InChIKeyGYMIKFWOLNVSHU-UHFFFAOYSA-N
XLogP2.40
TPSA112.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-quinolin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328817
8-amino-2-(3-fluorophenyl)-N-(trans-3-hydroxycyclobutyl)-1,7-naphthyridine-5-carboxamide
CID 89730047
(R)-4-((6-acetamido-pyridin-3-yl)amino)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)nicotinamide
CID 138703431
(R)-6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(pyrazin-2-ylamino)nicotinamide
CID 138704066
(R)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-((6-(methylamino)pyridin-3-yl)amino)nicotinamide
CID 138704438
6-(2-amino-4-pyridinyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-N-ethyl-1,5-naphthyridine-3-carboxamide
CID 156018757
US9586948, Example 47
CID 118388894
5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 59191590
3-[[6-[1-[[6-(4-Phenylpyrazol-1-yl)-3-pyridinyl]amino]butyl]pyridine-3-carbonyl]amino]propanoic acid
CID 68178628
(+/-)-3-(4-(1-(6-(4-(pyridin-2-yl)-1H-pyrazol-1-yl)pyridin-3-ylamino)butyl)benzamido)propanoic acid
CID 68178654
4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225108
4-amino-7-pyridin-4-yl-N-(2-pyridin-2-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225340

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide (CID 90288877) is N-(3-hydroxypropyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide is CC(C)c1cnnc(Nc2ccc3ncc(C(=O)NCCCO)cc3n2)c1.
What is the InChIKey of N-(3-hydroxypropyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide?
The InChIKey is GYMIKFWOLNVSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12(2)13-9-18(25-22-11-13)24-17-5-4-15-16(23-17)8-14(10-21-15)19(27)20-6-3-7-26/h4-5,8-12,26H,3,6-7H2,1-2H3,(H,20,27)(H,23,24,25).
What are the key properties of N-(3-hydroxypropyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide?
N-(3-hydroxypropyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 90288877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).