5-chloro-6-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]pyridine-3-carboxylic acid

C12H16ClN3O3 — CID 131917976

IUPAC5-chloro-6-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]pyridine-3-carboxylic acid
SMILESCO[C@H]1CN(C)C[C@@H]1Nc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C12H16ClN3O3/c1-16-5-9(10(6-16)19-2)15-11-8(13)3-7(4-14-11)12(17)18/h3-4,9-10H,5-6H2,1-2H3,(H,14,15)(H,17,18)/t9-,10-/m0/s1
InChIKeyIKOVJIXJXRVTPZ-UWVGGRQHSA-N
MW285.73 g/mol
LogP1.17
Rot. Bonds4

About 5-chloro-6-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]pyridine-3-carboxylic acid

5-chloro-6-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]pyridine-3-carboxylic acid (PubChem CID 131917976) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-chloro-6-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]pyridine-3-carboxylic acid
PubChem CID131917976
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name5-chloro-6-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]pyridine-3-carboxylic acid
SMILESCO[C@H]1CN(C)C[C@@H]1Nc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C12H16ClN3O3/c1-16-5-9(10(6-16)19-2)15-11-8(13)3-7(4-14-11)12(17)18/h3-4,9-10H,5-6H2,1-2H3,(H,14,15)(H,17,18)/t9-,10-/m0/s1
InChIKeyIKOVJIXJXRVTPZ-UWVGGRQHSA-N
XLogP1.17
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-6-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

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CID 114100429
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CID 79071332
5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid
CID 162627567
5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid
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5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid
CID 28529893
5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 114125777
[5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 62170776
5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid
CID 43187338
[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538359
3-[(3-chloro-5-methoxycarbonyl-2-pyridinyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 167867080
5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83036892
5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 62175962

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]pyridine-3-carboxylic acid (CID 131917976) is 5-chloro-6-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]pyridine-3-carboxylic acid is CO[C@H]1CN(C)C[C@@H]1Nc1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is IKOVJIXJXRVTPZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-16-5-9(10(6-16)19-2)15-11-8(13)3-7(4-14-11)12(17)18/h3-4,9-10H,5-6H2,1-2H3,(H,14,15)(H,17,18)/t9-,10-/m0/s1.
What are the key properties of 5-chloro-6-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]pyridine-3-carboxylic acid?
5-chloro-6-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 285.73 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 131917976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).