N-[[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide

C21H26N4O4 — CID 131892988

IUPACN-[[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NCC1CCCN(C(=O)c2cc(=O)cc(C)o2)C1
InChIInChI=1S/C21H26N4O4/c1-3-5-18-17(11-22-13-24-18)20(27)23-10-15-6-4-7-25(12-15)21(28)19-9-16(26)8-14(2)29-19/h8-9,11,13,15H,3-7,10,12H2,1-2H3,(H,23,27)
InChIKeyCBFQWKNNNLTQJP-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.97
Rot. Bonds6

About N-[[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide

N-[[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide (PubChem CID 131892988) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide
PubChem CID131892988
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-[[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NCC1CCCN(C(=O)c2cc(=O)cc(C)o2)C1
InChIInChI=1S/C21H26N4O4/c1-3-5-18-17(11-22-13-24-18)20(27)23-10-15-6-4-7-25(12-15)21(28)19-9-16(26)8-14(2)29-19/h8-9,11,13,15H,3-7,10,12H2,1-2H3,(H,23,27)
InChIKeyCBFQWKNNNLTQJP-UHFFFAOYSA-N
XLogP1.97
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide 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

N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide
CID 125168380
2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one
CID 118787801
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
CID 95554892
6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 125160476
2-methyl-6-[(3S)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]pyran-4-one
CID 97276911
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 125134277
N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 118783160
2-methyl-6-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]pyran-4-one
CID 99994685
5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821755
2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one
CID 99929823
3,5-dimethoxy-N-[[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methyl]benzamide
CID 26393347
N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 125137746

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-[[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide (CID 131892988) is N-[[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)NCC1CCCN(C(=O)c2cc(=O)cc(C)o2)C1.
What is the InChIKey of N-[[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide?
The InChIKey is CBFQWKNNNLTQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-3-5-18-17(11-22-13-24-18)20(27)23-10-15-6-4-7-25(12-15)21(28)19-9-16(26)8-14(2)29-19/h8-9,11,13,15H,3-7,10,12H2,1-2H3,(H,23,27).
What are the key properties of N-[[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide?
N-[[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 131892988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).