N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide

C16H20N6O2S — CID 136998422

IUPACN-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC1CCN(c2cc(=O)[nH]c(N)n2)CC1
InChIInChI=1S/C16H20N6O2S/c1-25-15-11(3-2-6-18-15)14(24)19-10-4-7-22(8-5-10)12-9-13(23)21-16(17)20-12/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,19,24)(H3,17,20,21,23)
InChIKeyITZMFDQXRGUNBT-UHFFFAOYSA-N
MW360.44 g/mol
LogP0.87
Rot. Bonds4

About N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide

N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 136998422) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID136998422
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC NameN-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC1CCN(c2cc(=O)[nH]c(N)n2)CC1
InChIInChI=1S/C16H20N6O2S/c1-25-15-11(3-2-6-18-15)14(24)19-10-4-7-22(8-5-10)12-9-13(23)21-16(17)20-12/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,19,24)(H3,17,20,21,23)
InChIKeyITZMFDQXRGUNBT-UHFFFAOYSA-N
XLogP0.87
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide with MolForge

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Related Compounds

N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-ethoxypyridine-3-carboxamide
CID 136988419
2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 99875589
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 129355700
2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
CID 135933881
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 42463239
2-methylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-3-carboxamide
CID 26323220
N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide
CID 113345445
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 124783105
2-amino-4-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136665275
N-[1-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-4-yl]benzamide
CID 138022477
ethyl 4-[[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 24654691

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide (CID 136998422) is N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NC1CCN(c2cc(=O)[nH]c(N)n2)CC1.
What is the InChIKey of N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is ITZMFDQXRGUNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-25-15-11(3-2-6-18-15)14(24)19-10-4-7-22(8-5-10)12-9-13(23)21-16(17)20-12/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,19,24)(H3,17,20,21,23).
What are the key properties of N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide?
N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 136998422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).