2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid

C13H18N4O3 — CID 107340537

IUPAC2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NC2CCNCC2)cn1
InChIInChI=1S/C13H18N4O3/c18-12(19)7-10-1-2-11(8-15-10)17-13(20)16-9-3-5-14-6-4-9/h1-2,8-9,14H,3-7H2,(H,18,19)(H2,16,17,20)
InChIKeyBMISAZIJWQSFHL-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.58
Rot. Bonds4

About 2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid

2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid (PubChem CID 107340537) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid
PubChem CID107340537
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NC2CCNCC2)cn1
InChIInChI=1S/C13H18N4O3/c18-12(19)7-10-1-2-11(8-15-10)17-13(20)16-9-3-5-14-6-4-9/h1-2,8-9,14H,3-7H2,(H,18,19)(H2,16,17,20)
InChIKeyBMISAZIJWQSFHL-UHFFFAOYSA-N
XLogP0.58
TPSA103.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340431
2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340629
2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340676
2-[5-[(2,2-dimethylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340758
2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid
CID 107341016
2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
CID 107338810
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid
CID 63746907
1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride
CID 53255615
2-[5-(3,3-dimethylbutylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340868
1-(azepan-4-yl)-3-(3,4-dichlorophenyl)urea
CID 107172624
1-(4-cyanophenyl)-3-piperidin-4-ylurea
CID 43345800

Frequently Asked Questions

What is the IUPAC name of 2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid (CID 107340537) is 2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(NC(=O)NC2CCNCC2)cn1.
What is the InChIKey of 2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid?
The InChIKey is BMISAZIJWQSFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c18-12(19)7-10-1-2-11(8-15-10)17-13(20)16-9-3-5-14-6-4-9/h1-2,8-9,14H,3-7H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid?
2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 0.58, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid is sourced from PubChem (CID 107340537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).