N-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide

C24H28N6O2S — CID 138590579

IUPACN-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
SMILESCc1ncc(-c2cc3cc(NC(=O)C4CCN(C(=O)CN5CCCC5)CC4)ncc3cn2)s1
InChIInChI=1S/C24H28N6O2S/c1-16-25-14-21(33-16)20-10-18-11-22(27-13-19(18)12-26-20)28-24(32)17-4-8-30(9-5-17)23(31)15-29-6-2-3-7-29/h10-14,17H,2-9,15H2,1H3,(H,27,28,32)
InChIKeyUAXQISABHQGYIM-UHFFFAOYSA-N
MW464.60 g/mol
LogP3.33
Rot. Bonds5

About N-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide

N-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide (PubChem CID 138590579) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is N-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
PubChem CID138590579
Molecular FormulaC24H28N6O2S
Molecular Weight464.60 g/mol
Exact Mass464.20
IUPAC NameN-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
SMILESCc1ncc(-c2cc3cc(NC(=O)C4CCN(C(=O)CN5CCCC5)CC4)ncc3cn2)s1
InChIInChI=1S/C24H28N6O2S/c1-16-25-14-21(33-16)20-10-18-11-22(27-13-19(18)12-26-20)28-24(32)17-4-8-30(9-5-17)23(31)15-29-6-2-3-7-29/h10-14,17H,2-9,15H2,1H3,(H,27,28,32)
InChIKeyUAXQISABHQGYIM-UHFFFAOYSA-N
XLogP3.33
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide
CID 166955080
N-[2-(2-methyl-1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-(oxetan-3-yl)piperidine-4-carboxamide;molecular hydrogen
CID 142584148
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]azepane-4-carboxamide
CID 138588754
1-(4-methylpiperazin-1-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one
CID 157466556
1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]piperidine-4-carboxamide
CID 138588479
N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-2-piperidin-1-ylacetamide
CID 138590602
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide
CID 138587966
N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 55922165
1-[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 136515469
N-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138590190
N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 138591112
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 138590403

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide (CID 138590579) is N-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide is Cc1ncc(-c2cc3cc(NC(=O)C4CCN(C(=O)CN5CCCC5)CC4)ncc3cn2)s1.
What is the InChIKey of N-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide?
The InChIKey is UAXQISABHQGYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2S/c1-16-25-14-21(33-16)20-10-18-11-22(27-13-19(18)12-26-20)28-24(32)17-4-8-30(9-5-17)23(31)15-29-6-2-3-7-29/h10-14,17H,2-9,15H2,1H3,(H,27,28,32).
What are the key properties of N-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide?
N-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide has a molecular weight of 464.60 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 138590579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).