2-[[3-[(3-chloro-5-cyano-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid

C16H19ClN4O2 — CID 122061417

IUPAC2-[[3-[(3-chloro-5-cyano-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
SMILESN#Cc1cnc(NC2CC(N(CC(=O)O)CC3CC3)C2)c(Cl)c1
InChIInChI=1S/C16H19ClN4O2/c17-14-3-11(6-18)7-19-16(14)20-12-4-13(5-12)21(9-15(22)23)8-10-1-2-10/h3,7,10,12-13H,1-2,4-5,8-9H2,(H,19,20)(H,22,23)
InChIKeyPGGAYSSRLBSSDA-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.35
Rot. Bonds7

About 2-[[3-[(3-chloro-5-cyano-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid

2-[[3-[(3-chloro-5-cyano-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 122061417) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-[[3-[(3-chloro-5-cyano-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(3-chloro-5-cyano-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID122061417
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name2-[[3-[(3-chloro-5-cyano-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
SMILESN#Cc1cnc(NC2CC(N(CC(=O)O)CC3CC3)C2)c(Cl)c1
InChIInChI=1S/C16H19ClN4O2/c17-14-3-11(6-18)7-19-16(14)20-12-4-13(5-12)21(9-15(22)23)8-10-1-2-10/h3,7,10,12-13H,1-2,4-5,8-9H2,(H,19,20)(H,22,23)
InChIKeyPGGAYSSRLBSSDA-UHFFFAOYSA-N
XLogP2.35
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[(3-chloro-5-cyano-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid with MolForge

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Related Compounds

5-Chloro-6-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 53552734
2-[(3-Chloro-5-cyano-2-pyridinyl)amino]-3-methylpentanamide
CID 71846758
5-Chloro-6-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carbonitrile
CID 71998142
{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino}acetic acid
CID 24693720
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
CID 43468862
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 43470146
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656368
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 54773636
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutanoic acid
CID 54941931
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-cyclopropylamino]acetic acid
CID 54945709
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-propan-2-ylamino]acetic acid
CID 60829528
2-[Butan-2-yl-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 60839349

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3-chloro-5-cyano-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[3-[(3-chloro-5-cyano-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid (CID 122061417) is 2-[[3-[(3-chloro-5-cyano-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-[(3-chloro-5-cyano-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-[(3-chloro-5-cyano-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid is N#Cc1cnc(NC2CC(N(CC(=O)O)CC3CC3)C2)c(Cl)c1.
What is the InChIKey of 2-[[3-[(3-chloro-5-cyano-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is PGGAYSSRLBSSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c17-14-3-11(6-18)7-19-16(14)20-12-4-13(5-12)21(9-15(22)23)8-10-1-2-10/h3,7,10,12-13H,1-2,4-5,8-9H2,(H,19,20)(H,22,23).
What are the key properties of 2-[[3-[(3-chloro-5-cyano-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[3-[(3-chloro-5-cyano-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 334.81 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3-chloro-5-cyano-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 122061417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).