N-[(2R)-1-(dimethylamino)propan-2-yl]-6-propan-2-ylpyridine-3-carboxamide

C14H23N3O — CID 59987604

IUPACN-[(2R)-1-(dimethylamino)propan-2-yl]-6-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)N[C@H](C)CN(C)C)cn1
InChIInChI=1S/C14H23N3O/c1-10(2)13-7-6-12(8-15-13)14(18)16-11(3)9-17(4)5/h6-8,10-11H,9H2,1-5H3,(H,16,18)/t11-/m1/s1
InChIKeyLPRSEYDNCURACE-LLVKDONJSA-N
MW249.36 g/mol
LogP1.88
Rot. Bonds5

About N-[(2R)-1-(dimethylamino)propan-2-yl]-6-propan-2-ylpyridine-3-carboxamide

N-[(2R)-1-(dimethylamino)propan-2-yl]-6-propan-2-ylpyridine-3-carboxamide (PubChem CID 59987604) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(2R)-1-(dimethylamino)propan-2-yl]-6-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(dimethylamino)propan-2-yl]-6-propan-2-ylpyridine-3-carboxamide
PubChem CID59987604
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(2R)-1-(dimethylamino)propan-2-yl]-6-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)N[C@H](C)CN(C)C)cn1
InChIInChI=1S/C14H23N3O/c1-10(2)13-7-6-12(8-15-13)14(18)16-11(3)9-17(4)5/h6-8,10-11H,9H2,1-5H3,(H,16,18)/t11-/m1/s1
InChIKeyLPRSEYDNCURACE-LLVKDONJSA-N
XLogP1.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-Ethylnicotinamide
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3-Acetyl-6-methylpyridine
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N-(3-Pyridyl)nicotinamide
CID 202725
Bupicomide
CID 31447
Kdoam-25
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Nicotinanilide
CID 74463

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(dimethylamino)propan-2-yl]-6-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[(2R)-1-(dimethylamino)propan-2-yl]-6-propan-2-ylpyridine-3-carboxamide (CID 59987604) is N-[(2R)-1-(dimethylamino)propan-2-yl]-6-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(dimethylamino)propan-2-yl]-6-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(dimethylamino)propan-2-yl]-6-propan-2-ylpyridine-3-carboxamide is CC(C)c1ccc(C(=O)N[C@H](C)CN(C)C)cn1.
What is the InChIKey of N-[(2R)-1-(dimethylamino)propan-2-yl]-6-propan-2-ylpyridine-3-carboxamide?
The InChIKey is LPRSEYDNCURACE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)13-7-6-12(8-15-13)14(18)16-11(3)9-17(4)5/h6-8,10-11H,9H2,1-5H3,(H,16,18)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(dimethylamino)propan-2-yl]-6-propan-2-ylpyridine-3-carboxamide?
N-[(2R)-1-(dimethylamino)propan-2-yl]-6-propan-2-ylpyridine-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(dimethylamino)propan-2-yl]-6-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 59987604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).