3-[[4-(3-chloropyridazin-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid

C14H15ClN6O2 — CID 175135859

IUPAC3-[[4-(3-chloropyridazin-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(Nc2nccc(-c3ccnnc3Cl)n2)C1
InChIInChI=1S/C14H15ClN6O2/c15-12-10(3-6-17-20-12)11-4-5-16-13(19-11)18-9-2-1-7-21(8-9)14(22)23/h3-6,9H,1-2,7-8H2,(H,22,23)(H,16,18,19)
InChIKeyDIUMIRQFEREEBY-UHFFFAOYSA-N
MW334.77 g/mol
LogP2.14
Rot. Bonds3

About 3-[[4-(3-chloropyridazin-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid

3-[[4-(3-chloropyridazin-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid (PubChem CID 175135859) has the molecular formula C14H15ClN6O2 and a molecular weight of 334.77 g/mol. Its IUPAC name is 3-[[4-(3-chloropyridazin-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(3-chloropyridazin-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
PubChem CID175135859
Molecular FormulaC14H15ClN6O2
Molecular Weight334.77 g/mol
Exact Mass334.09
IUPAC Name3-[[4-(3-chloropyridazin-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(Nc2nccc(-c3ccnnc3Cl)n2)C1
InChIInChI=1S/C14H15ClN6O2/c15-12-10(3-6-17-20-12)11-4-5-16-13(19-11)18-9-2-1-7-21(8-9)14(22)23/h3-6,9H,1-2,7-8H2,(H,22,23)(H,16,18,19)
InChIKeyDIUMIRQFEREEBY-UHFFFAOYSA-N
XLogP2.14
TPSA104.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.77
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (3S)-3-[[4-(3-chloropyridazin-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 156700306
3-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylic acid
CID 155391404
(3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 68726312
3-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxylic acid
CID 175145150
(3R)-3-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxylic acid
CID 175145149
2-[[(3S)-1-carboxypiperidin-3-yl]amino]-4-[2-[4-(2-chloro-N-sulfinatoanilino)-2,3-dimethylphenoxy]-3-pyridinyl]pyrimidine
CID 175115210
3-[[4-[2-(5-amino-2-methylnaphthalen-1-yl)oxy-5-bromo-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 135327372
furan-2-yl-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 74239566
3-[[4-[2-[2-methyl-5-(propanoylamino)naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 135327558
3-[[4-[2-[2,6-dimethyl-5-(propylsulfonylamino)naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 135327148
3-[[4-[2-[2-methyl-5-(2-methyl-5-oxopyrrolidin-1-yl)naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 135326743
3-[[6-(4-amino-2,3-difluorophenyl)quinazolin-2-yl]amino]piperidine-1-carboxylic acid
CID 155391698

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-chloropyridazin-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 3-[[4-(3-chloropyridazin-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid (CID 175135859) is 3-[[4-(3-chloropyridazin-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[[4-(3-chloropyridazin-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[[4-(3-chloropyridazin-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid is O=C(O)N1CCCC(Nc2nccc(-c3ccnnc3Cl)n2)C1.
What is the InChIKey of 3-[[4-(3-chloropyridazin-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is DIUMIRQFEREEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O2/c15-12-10(3-6-17-20-12)11-4-5-16-13(19-11)18-9-2-1-7-21(8-9)14(22)23/h3-6,9H,1-2,7-8H2,(H,22,23)(H,16,18,19).
What are the key properties of 3-[[4-(3-chloropyridazin-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid?
3-[[4-(3-chloropyridazin-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 334.77 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-chloropyridazin-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 175135859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).