cis-(1R,3S)-3-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid

C14H19N3O3 — CID 106322257

IUPACcis-(1R,3S)-3-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C)c(C(N)=O)c(N[C@H]2CC[C@@H](C(=O)O)C2)n1
InChIInChI=1S/C14H19N3O3/c1-7-5-8(2)16-13(11(7)12(15)18)17-10-4-3-9(6-10)14(19)20/h5,9-10H,3-4,6H2,1-2H3,(H2,15,18)(H,16,17)(H,19,20)/t9-,10+/m1/s1
InChIKeyZBFHWWAPESIFJL-ZJUUUORDSA-N
MW277.32 g/mol
LogP1.46
Rot. Bonds4

About cis-(1R,3S)-3-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106322257) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106322257
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namecis-(1R,3S)-3-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C)c(C(N)=O)c(N[C@H]2CC[C@@H](C(=O)O)C2)n1
InChIInChI=1S/C14H19N3O3/c1-7-5-8(2)16-13(11(7)12(15)18)17-10-4-3-9(6-10)14(19)20/h5,9-10H,3-4,6H2,1-2H3,(H2,15,18)(H,16,17)(H,19,20)/t9-,10+/m1/s1
InChIKeyZBFHWWAPESIFJL-ZJUUUORDSA-N
XLogP1.46
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 106322444
2-[(2-aminocyclopropyl)amino]-4,6-dimethylpyridine-3-carboxamide
CID 43598857
2-(8-azabicyclo[3.2.1]octan-3-ylamino)-4,6-dimethylpyridine-3-carboxamide
CID 61232175
2-[(3,4-dimethylcyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 64741956
2-(cyclobutylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 62414994
3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66032758
3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 66030583
4,6-dimethyl-2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 55027428
2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)amino]-N-cyclopropylacetamide
CID 61177490
4,6-dimethyl-2-(1-piperidin-3-ylethylamino)pyridine-3-carboxamide
CID 62047083
2-[(2-hydroxycyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 114093951
3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid
CID 66030575

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid (CID 106322257) is cis-(1R,3S)-3-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid is Cc1cc(C)c(C(N)=O)c(N[C@H]2CC[C@@H](C(=O)O)C2)n1.
What is the InChIKey of cis-(1R,3S)-3-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is ZBFHWWAPESIFJL-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-7-5-8(2)16-13(11(7)12(15)18)17-10-4-3-9(6-10)14(19)20/h5,9-10H,3-4,6H2,1-2H3,(H2,15,18)(H,16,17)(H,19,20)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106322257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).