2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid

C14H17ClN4O2 — CID 107061429

IUPAC2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
SMILESN#Cc1ccnc(N2CCCC(CNCC(=O)O)C2)c1Cl
InChIInChI=1S/C14H17ClN4O2/c15-13-11(6-16)3-4-18-14(13)19-5-1-2-10(9-19)7-17-8-12(20)21/h3-4,10,17H,1-2,5,7-9H2,(H,20,21)
InChIKeyHADFWGRQOODFIT-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.50
Rot. Bonds5

About 2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid

2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 107061429) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
PubChem CID107061429
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
SMILESN#Cc1ccnc(N2CCCC(CNCC(=O)O)C2)c1Cl
InChIInChI=1S/C14H17ClN4O2/c15-13-11(6-16)3-4-18-14(13)19-5-1-2-10(9-19)7-17-8-12(20)21/h3-4,10,17H,1-2,5,7-9H2,(H,20,21)
InChIKeyHADFWGRQOODFIT-UHFFFAOYSA-N
XLogP1.50
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 107056581
2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814280
2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid
CID 106814327
3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107057088
3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid
CID 55104922
N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide
CID 107058314
3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile
CID 107057553
2-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814374
2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814368
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
CID 107061360
1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 107057278
3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107058347

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid (CID 107061429) is 2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid is N#Cc1ccnc(N2CCCC(CNCC(=O)O)C2)c1Cl.
What is the InChIKey of 2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is HADFWGRQOODFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c15-13-11(6-16)3-4-18-14(13)19-5-1-2-10(9-19)7-17-8-12(20)21/h3-4,10,17H,1-2,5,7-9H2,(H,20,21).
What are the key properties of 2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 308.77 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 107061429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).