N-[4-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methoxyphenyl]-2-methoxyphenyl]-3,4-dihydro-2H-pyrrol-5-amine

C22H26N4O2 — CID 10499886

IUPACN-[4-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methoxyphenyl]-2-methoxyphenyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCOc1cc(-c2ccc(NC3=NCCC3)c(OC)c2)ccc1NC1=NCCC1
InChIInChI=1S/C22H26N4O2/c1-27-19-13-15(7-9-17(19)25-21-5-3-11-23-21)16-8-10-18(20(14-16)28-2)26-22-6-4-12-24-22/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUFBULMYRTBTTMR-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.58
Rot. Bonds5

About N-[4-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methoxyphenyl]-2-methoxyphenyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[4-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methoxyphenyl]-2-methoxyphenyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 10499886) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[4-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methoxyphenyl]-2-methoxyphenyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[4-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methoxyphenyl]-2-methoxyphenyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID10499886
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[4-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methoxyphenyl]-2-methoxyphenyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCOc1cc(-c2ccc(NC3=NCCC3)c(OC)c2)ccc1NC1=NCCC1
InChIInChI=1S/C22H26N4O2/c1-27-19-13-15(7-9-17(19)25-21-5-3-11-23-21)16-8-10-18(20(14-16)28-2)26-22-6-4-12-24-22/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUFBULMYRTBTTMR-UHFFFAOYSA-N
XLogP4.58
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methoxyphenyl]-2-methoxyphenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[4-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methoxyphenyl]-2-methoxyphenyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 10499886) is N-[4-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methoxyphenyl]-2-methoxyphenyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[4-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methoxyphenyl]-2-methoxyphenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[4-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methoxyphenyl]-2-methoxyphenyl]-3,4-dihydro-2H-pyrrol-5-amine is COc1cc(-c2ccc(NC3=NCCC3)c(OC)c2)ccc1NC1=NCCC1.
What is the InChIKey of N-[4-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methoxyphenyl]-2-methoxyphenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is UFBULMYRTBTTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-27-19-13-15(7-9-17(19)25-21-5-3-11-23-21)16-8-10-18(20(14-16)28-2)26-22-6-4-12-24-22/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methoxyphenyl]-2-methoxyphenyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[4-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methoxyphenyl]-2-methoxyphenyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 378.48 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methoxyphenyl]-2-methoxyphenyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 10499886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).