4-[cyclopropyl-[2-(2-methylimidazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylic acid

C18H22N6O3 — CID 122552933

IUPAC4-[cyclopropyl-[2-(2-methylimidazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylic acid
SMILESCc1nccn1-c1ncc(C(=O)N(C2CC2)C2CCN(C(=O)O)CC2)cn1
InChIInChI=1S/C18H22N6O3/c1-12-19-6-9-23(12)17-20-10-13(11-21-17)16(25)24(14-2-3-14)15-4-7-22(8-5-15)18(26)27/h6,9-11,14-15H,2-5,7-8H2,1H3,(H,26,27)
InChIKeyUYAXJHPKELSMID-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.72
Rot. Bonds4

About 4-[cyclopropyl-[2-(2-methylimidazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylic acid

4-[cyclopropyl-[2-(2-methylimidazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylic acid (PubChem CID 122552933) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[cyclopropyl-[2-(2-methylimidazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropyl-[2-(2-methylimidazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylic acid
PubChem CID122552933
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name4-[cyclopropyl-[2-(2-methylimidazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylic acid
SMILESCc1nccn1-c1ncc(C(=O)N(C2CC2)C2CCN(C(=O)O)CC2)cn1
InChIInChI=1S/C18H22N6O3/c1-12-19-6-9-23(12)17-20-10-13(11-21-17)16(25)24(14-2-3-14)15-4-7-22(8-5-15)18(26)27/h6,9-11,14-15H,2-5,7-8H2,1H3,(H,26,27)
InChIKeyUYAXJHPKELSMID-UHFFFAOYSA-N
XLogP1.72
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 4-[cyclopropyl-[2-(2-methylimidazol-1-yl)pyrimidine-5-carbonyl]amino]-3-fluoropiperidine-1-carboxylate
CID 123156321
N-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide
CID 123494632
N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide
CID 78012007
4-methyl-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxylic acid
CID 83181046
5-methyl-2-(2-methylimidazol-1-yl)pyrimidine
CID 63811500
2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301003
4-[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]-cyclopropylamino]piperidine-1-carboxylic acid
CID 118292196
4-[cyclopropyl-[4-(4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-carboxylic acid
CID 90000912
N-cyclopropyl-5-(2-methylimidazol-1-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 71112158
4-[cyclopropyl-[5-(1,3-oxazol-5-yl)pyrimidine-2-carbonyl]amino]piperidine-1-carboxylic acid
CID 122552935
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide
CID 122301072
tert-butyl N-[1-[5-[(1-carbamimidoylpiperidin-4-yl)-cyclopropylcarbamoyl]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate
CID 144535386

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-[2-(2-methylimidazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[cyclopropyl-[2-(2-methylimidazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylic acid (CID 122552933) is 4-[cyclopropyl-[2-(2-methylimidazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[cyclopropyl-[2-(2-methylimidazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[cyclopropyl-[2-(2-methylimidazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylic acid is Cc1nccn1-c1ncc(C(=O)N(C2CC2)C2CCN(C(=O)O)CC2)cn1.
What is the InChIKey of 4-[cyclopropyl-[2-(2-methylimidazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylic acid?
The InChIKey is UYAXJHPKELSMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-12-19-6-9-23(12)17-20-10-13(11-21-17)16(25)24(14-2-3-14)15-4-7-22(8-5-15)18(26)27/h6,9-11,14-15H,2-5,7-8H2,1H3,(H,26,27).
What are the key properties of 4-[cyclopropyl-[2-(2-methylimidazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylic acid?
4-[cyclopropyl-[2-(2-methylimidazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-[2-(2-methylimidazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 122552933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).