N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C16H23N5O2S — CID 133444838

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCCc1nn(C)cc1CNc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C16H23N5O2S/c1-3-15-13(12-20(2)19-15)10-17-16-7-6-14(11-18-16)24(22,23)21-8-4-5-9-21/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,17,18)
InChIKeyKDSWPVALYUEXFN-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.77
Rot. Bonds6

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 133444838) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID133444838
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCCc1nn(C)cc1CNc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C16H23N5O2S/c1-3-15-13(12-20(2)19-15)10-17-16-7-6-14(11-18-16)24(22,23)21-8-4-5-9-21/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,17,18)
InChIKeyKDSWPVALYUEXFN-UHFFFAOYSA-N
XLogP1.77
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 115990626
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
CID 63626896
5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 9024535
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline
CID 115989506
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133405566
5-piperidin-1-ylsulfonyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 133280931
N-[(2-methoxy-4-pyridinyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 24632061
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 133444838) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is CCc1nn(C)cc1CNc1ccc(S(=O)(=O)N2CCCC2)cn1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is KDSWPVALYUEXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-3-15-13(12-20(2)19-15)10-17-16-7-6-14(11-18-16)24(22,23)21-8-4-5-9-21/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 349.46 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 133444838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).