1-[2-(methylamino)pyrimidine-5-carbonyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

C16H20N6O3 — CID 56904493

IUPAC1-[2-(methylamino)pyrimidine-5-carbonyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCNc1ncc(C(=O)N2CCC(C(=O)O)(n3cc(C)cn3)CC2)cn1
InChIInChI=1S/C16H20N6O3/c1-11-7-20-22(10-11)16(14(24)25)3-5-21(6-4-16)13(23)12-8-18-15(17-2)19-9-12/h7-10H,3-6H2,1-2H3,(H,24,25)(H,17,18,19)
InChIKeyZUGTXWKGZZHJOR-UHFFFAOYSA-N
MW344.38 g/mol
LogP0.74
Rot. Bonds4

About 1-[2-(methylamino)pyrimidine-5-carbonyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

1-[2-(methylamino)pyrimidine-5-carbonyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56904493) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-[2-(methylamino)pyrimidine-5-carbonyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(methylamino)pyrimidine-5-carbonyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56904493
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name1-[2-(methylamino)pyrimidine-5-carbonyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCNc1ncc(C(=O)N2CCC(C(=O)O)(n3cc(C)cn3)CC2)cn1
InChIInChI=1S/C16H20N6O3/c1-11-7-20-22(10-11)16(14(24)25)3-5-21(6-4-16)13(23)12-8-18-15(17-2)19-9-12/h7-10H,3-6H2,1-2H3,(H,24,25)(H,17,18,19)
InChIKeyZUGTXWKGZZHJOR-UHFFFAOYSA-N
XLogP0.74
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-Methyl-1-piperidin-4-yl-4-(pyrimidine-5-carbonylamino)piperidin-1-ium-4-carboxylate
CID 67534446
1-Acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylic acid
CID 67534598
4-Methoxycarbonyl-4-(pyrimidine-5-carbonylamino)piperidine-1-carboxylic acid
CID 67534994
4-(4-methyl-1H-pyrazol-1-yl)-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]piperidine-4-carboxylic acid
CID 56882390
4-(4-methyl-1H-pyrazol-1-yl)-1-[3-(1H-1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 56882552
1-[6-(aminocarbonyl)pyrazin-2-yl]-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56885408
1-[(1-methyl-1H-imidazol-5-yl)carbonyl]-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56887214
1-{[2-(ethylamino)pyrimidin-5-yl]carbonyl}-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56890986
1-[[2-(Propylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56892107
1-[2-Amino-6-(propan-2-ylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56896480
1-{6-[(dimethylamino)carbonyl]pyrazin-2-yl}-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56899930
1-{[2-(isopropylamino)pyrimidin-5-yl]methyl}-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56900569

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)pyrimidine-5-carbonyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(methylamino)pyrimidine-5-carbonyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56904493) is 1-[2-(methylamino)pyrimidine-5-carbonyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(methylamino)pyrimidine-5-carbonyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(methylamino)pyrimidine-5-carbonyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is CNc1ncc(C(=O)N2CCC(C(=O)O)(n3cc(C)cn3)CC2)cn1.
What is the InChIKey of 1-[2-(methylamino)pyrimidine-5-carbonyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is ZUGTXWKGZZHJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-11-7-20-22(10-11)16(14(24)25)3-5-21(6-4-16)13(23)12-8-18-15(17-2)19-9-12/h7-10H,3-6H2,1-2H3,(H,24,25)(H,17,18,19).
What are the key properties of 1-[2-(methylamino)pyrimidine-5-carbonyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-[2-(methylamino)pyrimidine-5-carbonyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 344.38 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)pyrimidine-5-carbonyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56904493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).