N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C19H25N3O2S — CID 2485199

IUPACN-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESC[C@H](CCc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C19H25N3O2S/c1-16(9-10-17-7-3-2-4-8-17)21-19-12-11-18(15-20-19)25(23,24)22-13-5-6-14-22/h2-4,7-8,11-12,15-16H,5-6,9-10,13-14H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeySBDNFUXFCWTFOK-MRXNPFEDSA-N
MW359.50 g/mol
LogP3.30
Rot. Bonds7

About N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 2485199) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID2485199
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESC[C@H](CCc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C19H25N3O2S/c1-16(9-10-17-7-3-2-4-8-17)21-19-12-11-18(15-20-19)25(23,24)22-13-5-6-14-22/h2-4,7-8,11-12,15-16H,5-6,9-10,13-14H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeySBDNFUXFCWTFOK-MRXNPFEDSA-N
XLogP3.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
1-phenyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-2-ol
CID 133400176
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
(2S)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122050256
(2R)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122049069
5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine
CID 133307271
5-(azepan-1-ylsulfonyl)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 92882514
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 43882561
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133293070
1-phenyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)hydrazine
CID 5267961
5-morpholin-4-ylsulfonyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 9211241

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 2485199) is N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is C[C@H](CCc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cn1.
What is the InChIKey of N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is SBDNFUXFCWTFOK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-16(9-10-17-7-3-2-4-8-17)21-19-12-11-18(15-20-19)25(23,24)22-13-5-6-14-22/h2-4,7-8,11-12,15-16H,5-6,9-10,13-14H2,1H3,(H,20,21)/t16-/m1/s1.
What are the key properties of N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 359.50 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 2485199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).