N,N-dimethylpropan-1-amine;ethane;4-methylpyrimidine;pyridine-3-carboxylic acid

C20H36N4O2 — CID 166455874

IUPACN,N-dimethylpropan-1-amine;ethane;4-methylpyrimidine;pyridine-3-carboxylic acid
SMILESCC.CC.CCCN(C)C.Cc1ccncn1.O=C(O)c1cccnc1
InChIInChI=1S/C6H5NO2.C5H6N2.C5H13N.2C2H6/c8-6(9)5-2-1-3-7-4-5;1-5-2-3-6-4-7-5;1-4-5-6(2)3;2*1-2/h1-4H,(H,8,9);2-4H,1H3;4-5H2,1-3H3;2*1-2H3
InChIKeyOPRFSUMKZWKAND-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.58
Rot. Bonds3

About N,N-dimethylpropan-1-amine;ethane;4-methylpyrimidine;pyridine-3-carboxylic acid

N,N-dimethylpropan-1-amine;ethane;4-methylpyrimidine;pyridine-3-carboxylic acid (PubChem CID 166455874) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is N,N-dimethylpropan-1-amine;ethane;4-methylpyrimidine;pyridine-3-carboxylic acid.

Molecular Properties

Compound NameN,N-dimethylpropan-1-amine;ethane;4-methylpyrimidine;pyridine-3-carboxylic acid
PubChem CID166455874
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC NameN,N-dimethylpropan-1-amine;ethane;4-methylpyrimidine;pyridine-3-carboxylic acid
SMILESCC.CC.CCCN(C)C.Cc1ccncn1.O=C(O)c1cccnc1
InChIInChI=1S/C6H5NO2.C5H6N2.C5H13N.2C2H6/c8-6(9)5-2-1-3-7-4-5;1-5-2-3-6-4-7-5;1-4-5-6(2)3;2*1-2/h1-4H,(H,8,9);2-4H,1H3;4-5H2,1-3H3;2*1-2H3
InChIKeyOPRFSUMKZWKAND-UHFFFAOYSA-N
XLogP4.58
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethylpropan-1-amine;ethane;4-methylpyrimidine;pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iodoethane;pyridine-3-carboxylic acid
CID 158495952
CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
1-(dimethylamino)ethanol;pyridine-3-carboxylic acid
CID 23620885
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
2-aminoacetic acid;bis(pyridine-3-carboxylic acid)
CID 146402763
tris(nitric acid);pyridine-3-carboxylic acid
CID 71410042
ethyl 2,2,2-trifluoroacetate;pyridine-3-carboxylic acid
CID 159414829
sodium;butanoate;pyridine-3-carboxamide;pyridine-3-carboxylic acid
CID 175165683
propane-1,2-diol;pyridine-3-carboxylic acid
CID 159503029
ethyl 2-methylpyridine-3-carboxylate;pyridine-3-carboxylic acid
CID 161330561
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropan-1-amine;ethane;4-methylpyrimidine;pyridine-3-carboxylic acid?
The IUPAC name of N,N-dimethylpropan-1-amine;ethane;4-methylpyrimidine;pyridine-3-carboxylic acid (CID 166455874) is N,N-dimethylpropan-1-amine;ethane;4-methylpyrimidine;pyridine-3-carboxylic acid.
What is the SMILES notation for N,N-dimethylpropan-1-amine;ethane;4-methylpyrimidine;pyridine-3-carboxylic acid?
The canonical SMILES for N,N-dimethylpropan-1-amine;ethane;4-methylpyrimidine;pyridine-3-carboxylic acid is CC.CC.CCCN(C)C.Cc1ccncn1.O=C(O)c1cccnc1.
What is the InChIKey of N,N-dimethylpropan-1-amine;ethane;4-methylpyrimidine;pyridine-3-carboxylic acid?
The InChIKey is OPRFSUMKZWKAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.C5H6N2.C5H13N.2C2H6/c8-6(9)5-2-1-3-7-4-5;1-5-2-3-6-4-7-5;1-4-5-6(2)3;2*1-2/h1-4H,(H,8,9);2-4H,1H3;4-5H2,1-3H3;2*1-2H3.
What are the key properties of N,N-dimethylpropan-1-amine;ethane;4-methylpyrimidine;pyridine-3-carboxylic acid?
N,N-dimethylpropan-1-amine;ethane;4-methylpyrimidine;pyridine-3-carboxylic acid has a molecular weight of 364.53 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropan-1-amine;ethane;4-methylpyrimidine;pyridine-3-carboxylic acid is sourced from PubChem (CID 166455874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).