1,1-dimethylurea;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyridine-2-carboxamide

C18H27N7O2S — CID 145200979

IUPAC1,1-dimethylurea;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyridine-2-carboxamide
SMILESCN(C)C(N)=O.Cc1cc(Nc2cc(N3CCCCC3)cnc2C(N)=O)sn1
InChIInChI=1S/C15H19N5OS.C3H8N2O/c1-10-7-13(22-19-10)18-12-8-11(9-17-14(12)15(16)21)20-5-3-2-4-6-20;1-5(2)3(4)6/h7-9,18H,2-6H2,1H3,(H2,16,21);1-2H3,(H2,4,6)
InChIKeyAXPQCQCFDOAOPQ-UHFFFAOYSA-N
MW405.53 g/mol
LogP2.31
Rot. Bonds4

About 1,1-dimethylurea;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyridine-2-carboxamide

1,1-dimethylurea;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyridine-2-carboxamide (PubChem CID 145200979) has the molecular formula C18H27N7O2S and a molecular weight of 405.53 g/mol. Its IUPAC name is 1,1-dimethylurea;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name1,1-dimethylurea;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyridine-2-carboxamide
PubChem CID145200979
Molecular FormulaC18H27N7O2S
Molecular Weight405.53 g/mol
Exact Mass405.19
IUPAC Name1,1-dimethylurea;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyridine-2-carboxamide
SMILESCN(C)C(N)=O.Cc1cc(Nc2cc(N3CCCCC3)cnc2C(N)=O)sn1
InChIInChI=1S/C15H19N5OS.C3H8N2O/c1-10-7-13(22-19-10)18-12-8-11(9-17-14(12)15(16)21)20-5-3-2-4-6-20;1-5(2)3(4)6/h7-9,18H,2-6H2,1H3,(H2,16,21);1-2H3,(H2,4,6)
InChIKeyAXPQCQCFDOAOPQ-UHFFFAOYSA-N
XLogP2.31
TPSA130.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1,1-dimethylurea;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyridine-2-carboxamide with MolForge

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Related Compounds

5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-2-carboxamide
CID 118115182
ethane;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide;methylurea
CID 144857942
5-[cyclohexyl(methyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 161207759
5-[4-(aminomethyl)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[4-[(dimethylcarbamoylamino)methyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;hydrochloride
CID 161478342
3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 154680874
5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 159518448
5-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 135361970
3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3R)-3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 155059796
3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
CID 135361534
tert-butyl 2-[(3S)-1-[6-carbamoyl-4-methyl-5-[(3-methyl-1,2-thiazol-5-yl)amino]-3-pyridinyl]piperidin-3-yl]acetate
CID 158284379
5-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 78117048
5-[(3S)-3-[2-(3-methylphenyl)-2-oxoethyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 157434916

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylurea;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyridine-2-carboxamide?
The IUPAC name of 1,1-dimethylurea;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyridine-2-carboxamide (CID 145200979) is 1,1-dimethylurea;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 1,1-dimethylurea;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for 1,1-dimethylurea;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyridine-2-carboxamide is CN(C)C(N)=O.Cc1cc(Nc2cc(N3CCCCC3)cnc2C(N)=O)sn1.
What is the InChIKey of 1,1-dimethylurea;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyridine-2-carboxamide?
The InChIKey is AXPQCQCFDOAOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS.C3H8N2O/c1-10-7-13(22-19-10)18-12-8-11(9-17-14(12)15(16)21)20-5-3-2-4-6-20;1-5(2)3(4)6/h7-9,18H,2-6H2,1H3,(H2,16,21);1-2H3,(H2,4,6).
What are the key properties of 1,1-dimethylurea;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyridine-2-carboxamide?
1,1-dimethylurea;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyridine-2-carboxamide has a molecular weight of 405.53 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylurea;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 145200979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).