2-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide

C22H28N6O — CID 138589895

IUPAC2-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
SMILESCC(C)CN1CCC(CC(=O)Nc2cc3nc(-c4cnn(C)c4)ccc3cn2)C1
InChIInChI=1S/C22H28N6O/c1-15(2)12-28-7-6-16(13-28)8-22(29)26-21-9-20-17(10-23-21)4-5-19(25-20)18-11-24-27(3)14-18/h4-5,9-11,14-16H,6-8,12-13H2,1-3H3,(H,23,26,29)
InChIKeyJMQKCFRFUCYCHC-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.34
Rot. Bonds6

About 2-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide

2-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide (PubChem CID 138589895) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
PubChem CID138589895
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name2-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
SMILESCC(C)CN1CCC(CC(=O)Nc2cc3nc(-c4cnn(C)c4)ccc3cn2)C1
InChIInChI=1S/C22H28N6O/c1-15(2)12-28-7-6-16(13-28)8-22(29)26-21-9-20-17(10-23-21)4-5-19(25-20)18-11-24-27(3)14-18/h4-5,9-11,14-16H,6-8,12-13H2,1-3H3,(H,23,26,29)
InChIKeyJMQKCFRFUCYCHC-UHFFFAOYSA-N
XLogP3.34
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methylpropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-3-carboxamide
CID 138588767
2-(4-hydroxypiperidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138590290
1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
CID 138586986
2-(4-methylmorpholin-2-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138587881
2-[4-(difluoromethyl)piperidin-1-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138588097
4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138590394
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138589540
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide
CID 138587966
1-(1-ethylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyrazole-4-carboxamide
CID 138591491
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide
CID 138589589
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]azepane-4-carboxamide
CID 138588754
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 138588276

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide?
The IUPAC name of 2-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide (CID 138589895) is 2-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide.
What is the SMILES notation for 2-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide?
The canonical SMILES for 2-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide is CC(C)CN1CCC(CC(=O)Nc2cc3nc(-c4cnn(C)c4)ccc3cn2)C1.
What is the InChIKey of 2-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide?
The InChIKey is JMQKCFRFUCYCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-15(2)12-28-7-6-16(13-28)8-22(29)26-21-9-20-17(10-23-21)4-5-19(25-20)18-11-24-27(3)14-18/h4-5,9-11,14-16H,6-8,12-13H2,1-3H3,(H,23,26,29).
What are the key properties of 2-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide?
2-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide has a molecular weight of 392.51 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide is sourced from PubChem (CID 138589895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).