N,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide

C18H24N4O2 — CID 160549181

IUPACN,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)N(C)C)nc1.Cc1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/2C9H12N2O/c1-7-4-5-10-8(6-7)9(12)11(2)3;1-7-4-5-8(10-6-7)9(12)11(2)3/h2*4-6H,1-3H3
InChIKeyQXVGHTSKVZCBHI-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.18
Rot. Bonds2

About N,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide

N,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide (PubChem CID 160549181) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide
PubChem CID160549181
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)N(C)C)nc1.Cc1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/2C9H12N2O/c1-7-4-5-10-8(6-7)9(12)11(2)3;1-7-4-5-8(10-6-7)9(12)11(2)3/h2*4-6H,1-3H3
InChIKeyQXVGHTSKVZCBHI-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate
CID 158456566
2-methyl-2-[methyl-(4-methylpyridine-2-carbonyl)amino]propanoic acid
CID 110836392
3-methyl-3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid
CID 110836401
4-amino-N,N-dimethylpyridine-2-carboxamide;hydrochloride
CID 167725414
N,N-dimethyl-5-phosphanylpyridine-2-carboxamide
CID 143916081
4-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide
CID 59848916
3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid
CID 110836400
N,N-dimethyl-5-propan-2-ylpyridine-2-carboxamide
CID 59186535
methyl 4-methylpyridine-2-carboxylate
CID 10920693
3,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-1-one
CID 55265069
sodium;hydride;5-methylpyridine-2-carboxylic acid
CID 173118814
sodium 5-methylpyridine-2-carboxylate
CID 23707755

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide?
The IUPAC name of N,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide (CID 160549181) is N,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide.
What is the SMILES notation for N,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide?
The canonical SMILES for N,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide is Cc1ccc(C(=O)N(C)C)nc1.Cc1ccnc(C(=O)N(C)C)c1.
What is the InChIKey of N,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide?
The InChIKey is QXVGHTSKVZCBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12N2O/c1-7-4-5-10-8(6-7)9(12)11(2)3;1-7-4-5-8(10-6-7)9(12)11(2)3/h2*4-6H,1-3H3.
What are the key properties of N,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide?
N,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide is sourced from PubChem (CID 160549181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).