[4-amino-3-(3-aminopyrrolidin-1-yl)-6-(2,3-dichlorophenyl)-2-pyridinyl]methanol

C16H18Cl2N4O — CID 147779984

IUPAC[4-amino-3-(3-aminopyrrolidin-1-yl)-6-(2,3-dichlorophenyl)-2-pyridinyl]methanol
SMILESNc1cc(-c2cccc(Cl)c2Cl)nc(CO)c1N1CCC(N)C1
InChIInChI=1S/C16H18Cl2N4O/c17-11-3-1-2-10(15(11)18)13-6-12(20)16(14(8-23)21-13)22-5-4-9(19)7-22/h1-3,6,9,23H,4-5,7-8,19H2,(H2,20,21)
InChIKeyHHPHFOLYAZORLU-UHFFFAOYSA-N
MW353.25 g/mol
LogP2.67
Rot. Bonds3

About [4-amino-3-(3-aminopyrrolidin-1-yl)-6-(2,3-dichlorophenyl)-2-pyridinyl]methanol

[4-amino-3-(3-aminopyrrolidin-1-yl)-6-(2,3-dichlorophenyl)-2-pyridinyl]methanol (PubChem CID 147779984) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is [4-amino-3-(3-aminopyrrolidin-1-yl)-6-(2,3-dichlorophenyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-amino-3-(3-aminopyrrolidin-1-yl)-6-(2,3-dichlorophenyl)-2-pyridinyl]methanol
PubChem CID147779984
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC Name[4-amino-3-(3-aminopyrrolidin-1-yl)-6-(2,3-dichlorophenyl)-2-pyridinyl]methanol
SMILESNc1cc(-c2cccc(Cl)c2Cl)nc(CO)c1N1CCC(N)C1
InChIInChI=1S/C16H18Cl2N4O/c17-11-3-1-2-10(15(11)18)13-6-12(20)16(14(8-23)21-13)22-5-4-9(19)7-22/h1-3,6,9,23H,4-5,7-8,19H2,(H2,20,21)
InChIKeyHHPHFOLYAZORLU-UHFFFAOYSA-N
XLogP2.67
TPSA88.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-amino-3-(3-aminopyrrolidin-1-yl)-6-(2,3-dichlorophenyl)-2-pyridinyl]methanol with MolForge

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Related Compounds

[6-(3-aminopiperidin-1-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 150239625
1-(2-chloro-6-fluorophenyl)pyrrolidin-3-amine
CID 112703896
2-[6-(3-aminopyrrolidin-1-yl)-4-(2,6-dichlorophenyl)-2-pyridinyl]-4-fluorophenol
CID 137290828
(3R)-1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol
CID 86323227
(3S)-1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol
CID 86323226
2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094450
4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;hydrochloride
CID 91826507
3-(3-aminopyrrolidin-1-yl)phenol
CID 57034127
(3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine
CID 71643980
4-(aminomethyl)-1-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]piperidin-4-ol
CID 139309361
[6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 150036652
(3R)-1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-amine
CID 95361082

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-(3-aminopyrrolidin-1-yl)-6-(2,3-dichlorophenyl)-2-pyridinyl]methanol?
The IUPAC name of [4-amino-3-(3-aminopyrrolidin-1-yl)-6-(2,3-dichlorophenyl)-2-pyridinyl]methanol (CID 147779984) is [4-amino-3-(3-aminopyrrolidin-1-yl)-6-(2,3-dichlorophenyl)-2-pyridinyl]methanol.
What is the SMILES notation for [4-amino-3-(3-aminopyrrolidin-1-yl)-6-(2,3-dichlorophenyl)-2-pyridinyl]methanol?
The canonical SMILES for [4-amino-3-(3-aminopyrrolidin-1-yl)-6-(2,3-dichlorophenyl)-2-pyridinyl]methanol is Nc1cc(-c2cccc(Cl)c2Cl)nc(CO)c1N1CCC(N)C1.
What is the InChIKey of [4-amino-3-(3-aminopyrrolidin-1-yl)-6-(2,3-dichlorophenyl)-2-pyridinyl]methanol?
The InChIKey is HHPHFOLYAZORLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O/c17-11-3-1-2-10(15(11)18)13-6-12(20)16(14(8-23)21-13)22-5-4-9(19)7-22/h1-3,6,9,23H,4-5,7-8,19H2,(H2,20,21).
What are the key properties of [4-amino-3-(3-aminopyrrolidin-1-yl)-6-(2,3-dichlorophenyl)-2-pyridinyl]methanol?
[4-amino-3-(3-aminopyrrolidin-1-yl)-6-(2,3-dichlorophenyl)-2-pyridinyl]methanol has a molecular weight of 353.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-(3-aminopyrrolidin-1-yl)-6-(2,3-dichlorophenyl)-2-pyridinyl]methanol is sourced from PubChem (CID 147779984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).