N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C18H23N3O2 — CID 122572746

IUPACN-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(CC(C)(C)C)c2cccnc2)c(=O)[nH]1
InChIInChI=1S/C18H23N3O2/c1-12-7-8-14(16(22)20-12)17(23)21-15(10-18(2,3)4)13-6-5-9-19-11-13/h5-9,11,15H,10H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyMRWCZMBLWOEAGW-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.99
Rot. Bonds4

About N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 122572746) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID122572746
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(CC(C)(C)C)c2cccnc2)c(=O)[nH]1
InChIInChI=1S/C18H23N3O2/c1-12-7-8-14(16(22)20-12)17(23)21-15(10-18(2,3)4)13-6-5-9-19-11-13/h5-9,11,15H,10H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyMRWCZMBLWOEAGW-UHFFFAOYSA-N
XLogP2.99
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131902711
6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide
CID 124844888
6-cyano-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 91840095
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-(6-oxo-1H-pyrazin-2-yl)benzamide
CID 122559172
N-(3,3-dimethyl-1-phenylbutyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998024
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 91834910
1-ethyl-6-methyl-2-oxo-N-[(1S)-1-pyridin-3-ylpropyl]pyridine-3-carboxamide
CID 125441292
3-(3,3-dimethyl-1-pyridin-3-ylbutyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 122568421
2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide
CID 91778729
N-[(4-chlorophenyl)-phenylmethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 155464297
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide
CID 135110911
4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide
CID 95721377

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 122572746) is N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)NC(CC(C)(C)C)c2cccnc2)c(=O)[nH]1.
What is the InChIKey of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MRWCZMBLWOEAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-7-8-14(16(22)20-12)17(23)21-15(10-18(2,3)4)13-6-5-9-19-11-13/h5-9,11,15H,10H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 122572746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).