N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C21H21ClN4O2S — CID 133364190

IUPACN-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NC(c2cccc(Cl)c2)c2ccccn2)nc1)N1CCCC1
InChIInChI=1S/C21H21ClN4O2S/c22-17-7-5-6-16(14-17)21(19-8-1-2-11-23-19)25-20-10-9-18(15-24-20)29(27,28)26-12-3-4-13-26/h1-2,5-11,14-15,21H,3-4,12-13H2,(H,24,25)
InChIKeyDUESTSUUFYCLBF-UHFFFAOYSA-N
MW428.95 g/mol
LogP4.12
Rot. Bonds6

About N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 133364190) has the molecular formula C21H21ClN4O2S and a molecular weight of 428.95 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID133364190
Molecular FormulaC21H21ClN4O2S
Molecular Weight428.95 g/mol
Exact Mass428.11
IUPAC NameN-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NC(c2cccc(Cl)c2)c2ccccn2)nc1)N1CCCC1
InChIInChI=1S/C21H21ClN4O2S/c22-17-7-5-6-16(14-17)21(19-8-1-2-11-23-19)25-20-10-9-18(15-24-20)29(27,28)26-12-3-4-13-26/h1-2,5-11,14-15,21H,3-4,12-13H2,(H,24,25)
InChIKeyDUESTSUUFYCLBF-UHFFFAOYSA-N
XLogP4.12
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.95
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine
CID 133364013
ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate
CID 133364083
6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide
CID 133364093
N-pentan-3-yl-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridine-3-sulfonamide
CID 56585243
2-chloro-N-[(1R)-1-pyridin-2-ylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9362538
N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268142
4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one
CID 133364168
5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine
CID 133307271
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-6-nitroquinolin-2-amine
CID 133364023
N-(2-morpholin-4-yl-1-phenylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55431899
1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine
CID 9282287

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 133364190) is N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(NC(c2cccc(Cl)c2)c2ccccn2)nc1)N1CCCC1.
What is the InChIKey of N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is DUESTSUUFYCLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2S/c22-17-7-5-6-16(14-17)21(19-8-1-2-11-23-19)25-20-10-9-18(15-24-20)29(27,28)26-12-3-4-13-26/h1-2,5-11,14-15,21H,3-4,12-13H2,(H,24,25).
What are the key properties of N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 428.95 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 133364190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).