N'-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethane-1,2-diamine

C17H17ClN4 — CID 22954132

IUPACN'-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethane-1,2-diamine
SMILESNCCNc1c[nH]c(-c2ccc(Cl)cc2)c1-c1ccncc1
InChIInChI=1S/C17H17ClN4/c18-14-3-1-13(2-4-14)17-16(12-5-8-20-9-6-12)15(11-22-17)21-10-7-19/h1-6,8-9,11,21-22H,7,10,19H2
InChIKeyJFRDCKCDJLYBTK-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.77
Rot. Bonds5

About N'-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethane-1,2-diamine

N'-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethane-1,2-diamine (PubChem CID 22954132) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is N'-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethane-1,2-diamine
PubChem CID22954132
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC NameN'-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethane-1,2-diamine
SMILESNCCNc1c[nH]c(-c2ccc(Cl)cc2)c1-c1ccncc1
InChIInChI=1S/C17H17ClN4/c18-14-3-1-13(2-4-14)17-16(12-5-8-20-9-6-12)15(11-22-17)21-10-7-19/h1-6,8-9,11,21-22H,7,10,19H2
InChIKeyJFRDCKCDJLYBTK-UHFFFAOYSA-N
XLogP3.77
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethane-1,2-diamine (CID 22954132) is N'-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethane-1,2-diamine is NCCNc1c[nH]c(-c2ccc(Cl)cc2)c1-c1ccncc1.
What is the InChIKey of N'-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethane-1,2-diamine?
The InChIKey is JFRDCKCDJLYBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c18-14-3-1-13(2-4-14)17-16(12-5-8-20-9-6-12)15(11-22-17)21-10-7-19/h1-6,8-9,11,21-22H,7,10,19H2.
What are the key properties of N'-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethane-1,2-diamine?
N'-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethane-1,2-diamine has a molecular weight of 312.80 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 22954132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).