1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]piperidine-4-carboxylic acid

C17H21ClN4O3 — CID 68910979

IUPAC1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCCc1cnc(-c2cnc(N3CCC(C(=O)O)CC3)c(Cl)c2NC)o1
InChIInChI=1S/C17H21ClN4O3/c1-3-11-8-21-16(25-11)12-9-20-15(13(18)14(12)19-2)22-6-4-10(5-7-22)17(23)24/h8-10H,3-7H2,1-2H3,(H,19,20)(H,23,24)
InChIKeyIUNQFADNQPTRQT-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.30
Rot. Bonds5

About 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]piperidine-4-carboxylic acid

1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 68910979) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID68910979
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCCc1cnc(-c2cnc(N3CCC(C(=O)O)CC3)c(Cl)c2NC)o1
InChIInChI=1S/C17H21ClN4O3/c1-3-11-8-21-16(25-11)12-9-20-15(13(18)14(12)19-2)22-6-4-10(5-7-22)17(23)24/h8-10H,3-7H2,1-2H3,(H,19,20)(H,23,24)
InChIKeyIUNQFADNQPTRQT-UHFFFAOYSA-N
XLogP3.30
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]piperidine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[4-azido-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 141166084
1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]-N-[3-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide
CID 174535790
1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-methylsulfinyl-2-pyridinyl]-N-[1-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide
CID 174550141
1-[3-acetamido-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 68911584
1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 18801422
1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-[1-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide
CID 174535835
1-(3-chloro-5-propan-2-yl-2-pyridinyl)piperidine-4-carboxylic acid
CID 146177851
1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid
CID 71648035
1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid
CID 144878454
1-(5-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid
CID 165469091
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 80758601
N-(1,2-benzoxazol-3-ylmethylsulfonyl)-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]piperidine-4-carboxamide
CID 15983544

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]piperidine-4-carboxylic acid (CID 68910979) is 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]piperidine-4-carboxylic acid is CCc1cnc(-c2cnc(N3CCC(C(=O)O)CC3)c(Cl)c2NC)o1.
What is the InChIKey of 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is IUNQFADNQPTRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c1-3-11-8-21-16(25-11)12-9-20-15(13(18)14(12)19-2)22-6-4-10(5-7-22)17(23)24/h8-10H,3-7H2,1-2H3,(H,19,20)(H,23,24).
What are the key properties of 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]piperidine-4-carboxylic acid?
1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 364.83 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 68910979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).