N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

C18H24N4O3 — CID 91791981

IUPACN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NC(c2cnn(C)c2)C2CC(O)C2)c(=O)[nH]1
InChIInChI=1S/C18H24N4O3/c1-10(2)15-5-4-14(17(24)20-15)18(25)21-16(11-6-13(23)7-11)12-8-19-22(3)9-12/h4-5,8-11,13,16,23H,6-7H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyQZULEIQOQQGAPP-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.47
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 91791981) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID91791981
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NC(c2cnn(C)c2)C2CC(O)C2)c(=O)[nH]1
InChIInChI=1S/C18H24N4O3/c1-10(2)15-5-4-14(17(24)20-15)18(25)21-16(11-6-13(23)7-11)12-8-19-22(3)9-12/h4-5,8-11,13,16,23H,6-7H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyQZULEIQOQQGAPP-UHFFFAOYSA-N
XLogP1.47
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 138026433
4-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 91788133
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 91761841
5-fluoro-2-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91772771
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 91762120
2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91763580
1-cyclopropyl-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 91771002
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 91776644
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
CID 91768715
5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 91771159
3-chloro-4-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91795698
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide
CID 91780833

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (CID 91791981) is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is CC(C)c1ccc(C(=O)NC(c2cnn(C)c2)C2CC(O)C2)c(=O)[nH]1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is QZULEIQOQQGAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-10(2)15-5-4-14(17(24)20-15)18(25)21-16(11-6-13(23)7-11)12-8-19-22(3)9-12/h4-5,8-11,13,16,23H,6-7H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91791981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).