N-[2-(2-methyl-1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-(oxetan-3-yl)piperidine-4-carboxamide;molecular hydrogen

C21H25N5O2S — CID 142584148

IUPACN-[2-(2-methyl-1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-(oxetan-3-yl)piperidine-4-carboxamide;molecular hydrogen
SMILESCc1ncc(-c2ccc3cnc(NC(=O)C4CCN(C5COC5)CC4)cc3n2)s1.[H][H]
InChIInChI=1S/C21H23N5O2S.H2/c1-13-22-10-19(29-13)17-3-2-15-9-23-20(8-18(15)24-17)25-21(27)14-4-6-26(7-5-14)16-11-28-12-16;/h2-3,8-10,14,16H,4-7,11-12H2,1H3,(H,23,25,27);1H
InChIKeyKBSAKBISTRXHFM-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.36
Rot. Bonds4

About N-[2-(2-methyl-1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-(oxetan-3-yl)piperidine-4-carboxamide;molecular hydrogen

N-[2-(2-methyl-1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-(oxetan-3-yl)piperidine-4-carboxamide;molecular hydrogen (PubChem CID 142584148) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-(oxetan-3-yl)piperidine-4-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-(oxetan-3-yl)piperidine-4-carboxamide;molecular hydrogen
PubChem CID142584148
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC NameN-[2-(2-methyl-1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-(oxetan-3-yl)piperidine-4-carboxamide;molecular hydrogen
SMILESCc1ncc(-c2ccc3cnc(NC(=O)C4CCN(C5COC5)CC4)cc3n2)s1.[H][H]
InChIInChI=1S/C21H23N5O2S.H2/c1-13-22-10-19(29-13)17-3-2-15-9-23-20(8-18(15)24-17)25-21(27)14-4-6-26(7-5-14)16-11-28-12-16;/h2-3,8-10,14,16H,4-7,11-12H2,1H3,(H,23,25,27);1H
InChIKeyKBSAKBISTRXHFM-UHFFFAOYSA-N
XLogP3.36
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(oxetan-3-yl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide
CID 138587588
N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138588296
N-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 138590579
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 138588276
2-[3-(2-methyl-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone
CID 158378498
4-(1,3-difluoropropan-2-ylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138586981
1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
CID 138586986
1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
CID 138592093
2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide
CID 138589819
N-[2-(2-methylpyrazol-3-yl)-1,6-naphthyridin-7-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 138587815
4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138588625
1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 167847958

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-(oxetan-3-yl)piperidine-4-carboxamide;molecular hydrogen?
The IUPAC name of 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) is N-[2-(2-methyl-1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-(oxetan-3-yl)piperidine-4-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-(oxetan-3-yl)piperidine-4-carboxamide;molecular hydrogen?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-(oxetan-3-yl)piperidine-4-carboxamide;molecular hydrogen is Cc1ncc(-c2ccc3cnc(NC(=O)C4CCN(C5COC5)CC4)cc3n2)s1.[H][H].
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-(oxetan-3-yl)piperidine-4-carboxamide;molecular hydrogen?
The InChIKey is KBSAKBISTRXHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S.H2/c1-13-22-10-19(29-13)17-3-2-15-9-23-20(8-18(15)24-17)25-21(27)14-4-6-26(7-5-14)16-11-28-12-16;/h2-3,8-10,14,16H,4-7,11-12H2,1H3,(H,23,25,27);1H.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-(oxetan-3-yl)piperidine-4-carboxamide;molecular hydrogen?
N-[2-(2-methyl-1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-(oxetan-3-yl)piperidine-4-carboxamide;molecular hydrogen has a molecular weight of 411.53 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-(oxetan-3-yl)piperidine-4-carboxamide;molecular hydrogen is sourced from PubChem (CID 142584148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).