N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylnaphthalene-2-carboxamide

C29H30N4O2 — CID 71458739

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylnaphthalene-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCN(C(=O)c2ccc3ccccc3c2)c2ccccn2)CC1
InChIInChI=1S/C29H30N4O2/c1-35-27-11-5-4-10-26(27)32-19-16-31(17-20-32)18-21-33(28-12-6-7-15-30-28)29(34)25-14-13-23-8-2-3-9-24(23)22-25/h2-15,22H,16-21H2,1H3
InChIKeyZDHWQNDDDURZGC-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.71
Rot. Bonds7

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylnaphthalene-2-carboxamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylnaphthalene-2-carboxamide (PubChem CID 71458739) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylnaphthalene-2-carboxamide
PubChem CID71458739
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylnaphthalene-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCN(C(=O)c2ccc3ccccc3c2)c2ccccn2)CC1
InChIInChI=1S/C29H30N4O2/c1-35-27-11-5-4-10-26(27)32-19-16-31(17-20-32)18-21-33(28-12-6-7-15-30-28)29(34)25-14-13-23-8-2-3-9-24(23)22-25/h2-15,22H,16-21H2,1H3
InChIKeyZDHWQNDDDURZGC-UHFFFAOYSA-N
XLogP4.71
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylnaphthalene-2-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylnaphthalene-2-carboxamide (CID 71458739) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylnaphthalene-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylnaphthalene-2-carboxamide is COc1ccccc1N1CCN(CCN(C(=O)c2ccc3ccccc3c2)c2ccccn2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylnaphthalene-2-carboxamide?
The InChIKey is ZDHWQNDDDURZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-35-27-11-5-4-10-26(27)32-19-16-31(17-20-32)18-21-33(28-12-6-7-15-30-28)29(34)25-14-13-23-8-2-3-9-24(23)22-25/h2-15,22H,16-21H2,1H3.
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylnaphthalene-2-carboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylnaphthalene-2-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 71458739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).