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

C17H22N6O3 — CID 136988419

IUPACN-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NC1CCN(c2cc(=O)[nH]c(N)n2)CC1
InChIInChI=1S/C17H22N6O3/c1-2-26-16-12(4-3-7-19-16)15(25)20-11-5-8-23(9-6-11)13-10-14(24)22-17(18)21-13/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H,20,25)(H3,18,21,22,24)
InChIKeyNXULHUBNDKEOFK-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.54
Rot. Bonds5

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

N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-ethoxypyridine-3-carboxamide (PubChem CID 136988419) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-ethoxypyridine-3-carboxamide
PubChem CID136988419
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC NameN-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NC1CCN(c2cc(=O)[nH]c(N)n2)CC1
InChIInChI=1S/C17H22N6O3/c1-2-26-16-12(4-3-7-19-16)15(25)20-11-5-8-23(9-6-11)13-10-14(24)22-17(18)21-13/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H,20,25)(H3,18,21,22,24)
InChIKeyNXULHUBNDKEOFK-UHFFFAOYSA-N
XLogP0.54
TPSA126.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 136998422
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide
CID 136512747
ethyl 4-[(2-methoxypyridine-3-carbonyl)amino]azepane-1-carboxylate
CID 59150729
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 49072325
2-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136776183
2-ethoxy-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridine-3-carboxamide
CID 86772369
N-[1-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-4-yl]benzamide
CID 138022477
N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methylpropoxy)pyridine-3-carboxamide
CID 138996085
2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
CID 135933881
N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-2-ethoxypyridine-3-carboxamide
CID 162637012
tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate
CID 137310018
tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47072487

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-ethoxypyridine-3-carboxamide (CID 136988419) is N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=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-ethoxypyridine-3-carboxamide?
The InChIKey is NXULHUBNDKEOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-2-26-16-12(4-3-7-19-16)15(25)20-11-5-8-23(9-6-11)13-10-14(24)22-17(18)21-13/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H,20,25)(H3,18,21,22,24).
What are the key properties of N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-ethoxypyridine-3-carboxamide?
N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-ethoxypyridine-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.54, 5 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-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 136988419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).