N-[3-[6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide

C17H21N5O3 — CID 91784966

IUPACN-[3-[6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC2CC(c3cc(NCCO)ncn3)C2)cc1=O
InChIInChI=1S/C17H21N5O3/c1-22-4-2-11(8-16(22)24)17(25)21-13-6-12(7-13)14-9-15(18-3-5-23)20-10-19-14/h2,4,8-10,12-13,23H,3,5-7H2,1H3,(H,21,25)(H,18,19,20)
InChIKeyUUIDVMMOSOKTGC-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.26
Rot. Bonds6

About N-[3-[6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide

N-[3-[6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 91784966) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[3-[6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID91784966
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[3-[6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC2CC(c3cc(NCCO)ncn3)C2)cc1=O
InChIInChI=1S/C17H21N5O3/c1-22-4-2-11(8-16(22)24)17(25)21-13-6-12(7-13)14-9-15(18-3-5-23)20-10-19-14/h2,4,8-10,12-13,23H,3,5-7H2,1H3,(H,21,25)(H,18,19,20)
InChIKeyUUIDVMMOSOKTGC-UHFFFAOYSA-N
XLogP0.26
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclooctyl-1-methyl-2-oxopyridine-4-carboxamide
CID 103610769
N-(1-acetylpiperidin-4-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103611671
1-methyl-N-(3-methylcyclopentyl)-2-oxopyridine-4-carboxamide
CID 114549550
2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate
CID 174793793
1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide
CID 113232784
1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 103713550
1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one
CID 118033881
N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 129359727
1-methyl-N-[5-[(1R,2S)-2-methylcyclopropyl]-1H-pyrazol-3-yl]-2-oxopyridine-4-carboxamide
CID 124627502
2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
CID 126848755
N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 65314932
5-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]pentan-1-ol;dihydrochloride
CID 154903330

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[3-[6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 91784966) is N-[3-[6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[3-[6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[3-[6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NC2CC(c3cc(NCCO)ncn3)C2)cc1=O.
What is the InChIKey of N-[3-[6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is UUIDVMMOSOKTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-22-4-2-11(8-16(22)24)17(25)21-13-6-12(7-13)14-9-15(18-3-5-23)20-10-19-14/h2,4,8-10,12-13,23H,3,5-7H2,1H3,(H,21,25)(H,18,19,20).
What are the key properties of N-[3-[6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[3-[6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 91784966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).